Cas no 100186-17-2 (1,2-Benzenediol,4-(1,1-dimethylpentyl)-)
100186-17-2 structure
Product Name:1,2-Benzenediol,4-(1,1-dimethylpentyl)-
CAS No:100186-17-2
MF:C13H20O2
MW:208.296704292297
CID:123986
PubChem ID:4108630
Update Time:2025-04-18
1,2-Benzenediol,4-(1,1-dimethylpentyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Benzenediol,4-(1,1-dimethylpentyl)-
- 1,2-Benzenediol,4-(1,1-dimethylpentyl)-(9CI)
- 4-(2-Methyl-2-hexanyl)-1,2-benzenediol
- 4-(1,1-dimethylallyloxy)benzaldehyde
- 4-(1,1-dimethylethyl)-3-(methoxy)benzaldehyde
- 4-(1,1-Dimethylpentyl)-1,2-benzenediol
- AGN-PC-00LFSV
- Benzaldehyde, 4-[(1,1-dimethyl-2-propenyl)oxy]-
- CTK1F8320
- 100186-17-2
- AKOS024366496
- 4-(2-methylhexan-2-yl)benzene-1,2-diol
-
- Inchi： 1S/C13H20O2/c1-4-5-8-13(2,3)10-6-7-11(14)12(15)9-10/h6-7,9,14-15H,4-5,8H2,1-3H3
- InChI Key： ZWJIMGJEFLXTOY-UHFFFAOYSA-N
- SMILES： OC1=C(C=CC(=C1)C(C)(C)CCCC)O
Computed Properties
- Exact Mass: 208.1464
- Monoisotopic Mass: 208.146
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 189
- 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: 4.3
- Topological Polar Surface Area: 40.5?2
Experimental Properties
- PSA: 40.46
- LogP: 3.56560
1,2-Benzenediol,4-(1,1-dimethylpentyl)- Related Literature
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
100186-17-2 (1,2-Benzenediol,4-(1,1-dimethylpentyl)-) Related Products
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