Cas no 33632-46-1 (3,3-dimethyl-3,4-dihydro-2H-1,5-benzodioxepine)
33632-46-1 structure
Product Name:3,3-dimethyl-3,4-dihydro-2H-1,5-benzodioxepine
CAS No:33632-46-1
MF:C11H14O2
MW:178.227663516998
CID:1459147
PubChem ID:19935415
Update Time:2025-04-20
3,3-dimethyl-3,4-dihydro-2H-1,5-benzodioxepine Chemical and Physical Properties
Names and Identifiers
-
- 3,3-dimethyl-3,4-dihydro-2H-1,5-benzodioxepine
- LogP
- DB-304012
- 3,4-dihydro-3,3-dimethyl-2H-1,5-benzodioxepine
- 3,3-Dimethyl-1,5-benzodioxepin
- SCHEMBL3794975
- NIDLFHBUQNLNFC-UHFFFAOYSA-N
- 33632-46-1
-
- Inchi： 1S/C11H14O2/c1-11(2)7-12-9-5-3-4-6-10(9)13-8-11/h3-6H,7-8H2,1-2H3
- InChI Key： NIDLFHBUQNLNFC-UHFFFAOYSA-N
- SMILES： O1C2C=CC=CC=2OCC(C)(C)C1
Computed Properties
- Exact Mass: 178.09942
- Monoisotopic Mass: 178.099
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 159
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.2
- Topological Polar Surface Area: 18.5A^2
Experimental Properties
- Density: 1.021
- Boiling Point: 235.2°C at 760 mmHg
- Flash Point: 100.7°C
- Refractive Index: 1.495
- PSA: 18.46
3,3-dimethyl-3,4-dihydro-2H-1,5-benzodioxepine Related Literature
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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