Cas no 77150-81-3 (1,3-Benzodioxole,5,5'-(2,3-dimethyl-1,4-butanediyl)bis- (9CI))
77150-81-3 structure
Product Name:1,3-Benzodioxole,5,5'-(2,3-dimethyl-1,4-butanediyl)bis- (9CI)
CAS No:77150-81-3
MF:C20H22O4
MW:326.386286258698
CID:575988
PubChem ID:290541
Update Time:2025-04-19
1,3-Benzodioxole,5,5'-(2,3-dimethyl-1,4-butanediyl)bis- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzodioxole,5,5'-(2,3-dimethyl-1,4-butanediyl)bis- (9CI)
- 5-[4-(1,3-benzodioxol-5-yl)-2,3-dimethylbutyl]-1,3-benzodioxole
- 5,4'-diamino-2-methyldicyclohexylmethane
- erythro-Austrobailignan-5
- QEFJURUMSHPMTC-UHFFFAOYSA-N
- Compound NP-025341
- 1,3-Benzodioxole, 5,5'-[(2R,3S)-2,3-dimethyl-1,4-butanediyl]bis-, rel-
- 1,3-Benzodioxole, 5,5'-(2,3-dimethyl-1,4-butanediyl)bis-, (R*,S*)-
- AKOS040736759
- 5,5'-((2R,3S)-2,3-Dimethylbutane-1,4-diyl)bis(benzo[d][1,3]dioxole)
- 77150-81-3
- NSC-154405
- meso-Austrobailignan-5
- NSC154405
- SCHEMBL10343221
-
- Inchi： 1S/C20H22O4/c1-13(7-15-3-5-17-19(9-15)23-11-21-17)14(2)8-16-4-6-18-20(10-16)24-12-22-18/h3-6,9-10,13-14H,7-8,11-12H2,1-2H3
- InChI Key： QEFJURUMSHPMTC-UHFFFAOYSA-N
- SMILES： O1COC2=CC=C(C=C12)CC(C)C(C)CC1=CC=C2C(=C1)OCO2
Computed Properties
- Exact Mass: 326.15200
- Monoisotopic Mass: 326.152
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 24
- Rotatable Bond Count: 5
- Complexity: 376
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 5.4
- Topological Polar Surface Area: 36.9?2
Experimental Properties
- Density: 1.199
- Boiling Point: 445.1°C at 760 mmHg
- Flash Point: 137°C
- Refractive Index: 1.584
- PSA: 36.92000
- LogP: 4.20140
1,3-Benzodioxole,5,5'-(2,3-dimethyl-1,4-butanediyl)bis- (9CI) Related Literature
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
-
Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
-
Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
-
Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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