2-tert-butyl-1-(3,4-dimethylcyclohexyl)cyclohexan-1-ol

C18H34O — CID 64740981

IUPAC2-tert-butyl-1-(3,4-dimethylcyclohexyl)cyclohexan-1-ol
SMILESCC1CCC(C2(O)CCCCC2C(C)(C)C)CC1C
InChIInChI=1S/C18H34O/c1-13-9-10-15(12-14(13)2)18(19)11-7-6-8-16(18)17(3,4)5/h13-16,19H,6-12H2,1-5H3
InChIKeyGZJZKPXLWRQGBG-UHFFFAOYSA-N
MW266.47 g/mol
LogP5.03
Rot. Bonds1

About 2-tert-butyl-1-(3,4-dimethylcyclohexyl)cyclohexan-1-ol

2-tert-butyl-1-(3,4-dimethylcyclohexyl)cyclohexan-1-ol (PubChem CID 64740981) has the molecular formula C18H34O and a molecular weight of 266.47 g/mol. Its IUPAC name is 2-tert-butyl-1-(3,4-dimethylcyclohexyl)cyclohexan-1-ol.

Molecular Properties

Compound Name2-tert-butyl-1-(3,4-dimethylcyclohexyl)cyclohexan-1-ol
PubChem CID64740981
Molecular FormulaC18H34O
Molecular Weight266.47 g/mol
Exact Mass266.26
IUPAC Name2-tert-butyl-1-(3,4-dimethylcyclohexyl)cyclohexan-1-ol
SMILESCC1CCC(C2(O)CCCCC2C(C)(C)C)CC1C
InChIInChI=1S/C18H34O/c1-13-9-10-15(12-14(13)2)18(19)11-7-6-8-16(18)17(3,4)5/h13-16,19H,6-12H2,1-5H3
InChIKeyGZJZKPXLWRQGBG-UHFFFAOYSA-N
XLogP5.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.47
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 10955696
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CID 44559303
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CID 14239431
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CID 15241252
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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-(3,4-dimethylcyclohexyl)cyclohexan-1-ol?
The IUPAC name of 2-tert-butyl-1-(3,4-dimethylcyclohexyl)cyclohexan-1-ol (CID 64740981) is 2-tert-butyl-1-(3,4-dimethylcyclohexyl)cyclohexan-1-ol.
What is the SMILES notation for 2-tert-butyl-1-(3,4-dimethylcyclohexyl)cyclohexan-1-ol?
The canonical SMILES for 2-tert-butyl-1-(3,4-dimethylcyclohexyl)cyclohexan-1-ol is CC1CCC(C2(O)CCCCC2C(C)(C)C)CC1C.
What is the InChIKey of 2-tert-butyl-1-(3,4-dimethylcyclohexyl)cyclohexan-1-ol?
The InChIKey is GZJZKPXLWRQGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O/c1-13-9-10-15(12-14(13)2)18(19)11-7-6-8-16(18)17(3,4)5/h13-16,19H,6-12H2,1-5H3.
What are the key properties of 2-tert-butyl-1-(3,4-dimethylcyclohexyl)cyclohexan-1-ol?
2-tert-butyl-1-(3,4-dimethylcyclohexyl)cyclohexan-1-ol has a molecular weight of 266.47 g/mol, XLogP of 5.03, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-(3,4-dimethylcyclohexyl)cyclohexan-1-ol is sourced from PubChem (CID 64740981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).