4-tert-butyl-2-(3,5-dimethylcyclohexyl)cyclohexan-1-ol

C18H34O — CID 79423962

IUPAC4-tert-butyl-2-(3,5-dimethylcyclohexyl)cyclohexan-1-ol
SMILESCC1CC(C)CC(C2CC(C(C)(C)C)CCC2O)C1
InChIInChI=1S/C18H34O/c1-12-8-13(2)10-14(9-12)16-11-15(18(3,4)5)6-7-17(16)19/h12-17,19H,6-11H2,1-5H3
InChIKeyDOKBATZAENRTAQ-UHFFFAOYSA-N
MW266.47 g/mol
LogP4.88
Rot. Bonds1

About 4-tert-butyl-2-(3,5-dimethylcyclohexyl)cyclohexan-1-ol

4-tert-butyl-2-(3,5-dimethylcyclohexyl)cyclohexan-1-ol (PubChem CID 79423962) has the molecular formula C18H34O and a molecular weight of 266.47 g/mol. Its IUPAC name is 4-tert-butyl-2-(3,5-dimethylcyclohexyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-tert-butyl-2-(3,5-dimethylcyclohexyl)cyclohexan-1-ol
PubChem CID79423962
Molecular FormulaC18H34O
Molecular Weight266.47 g/mol
Exact Mass266.26
IUPAC Name4-tert-butyl-2-(3,5-dimethylcyclohexyl)cyclohexan-1-ol
SMILESCC1CC(C)CC(C2CC(C(C)(C)C)CCC2O)C1
InChIInChI=1S/C18H34O/c1-12-8-13(2)10-14(9-12)16-11-15(18(3,4)5)6-7-17(16)19/h12-17,19H,6-11H2,1-5H3
InChIKeyDOKBATZAENRTAQ-UHFFFAOYSA-N
XLogP4.88
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

cis-(1R,2S)-4-tert-butylcyclohexane-1,2-diol
CID 59686945
(1R,2R,5R)-5-tert-butyl-2-methylcyclohexan-1-ol
CID 118263170
trans-(1R,2R)-4-tert-butyl-2-fluorocyclohexan-1-ol
CID 130452306
4-(4-tert-butylcyclohexyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 58527703
4-(3,5-ditert-butylcyclohexyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 123237411
1,3-ditert-butylcyclopentane;ethane
CID 161179598
trans-(2R,6R)-2,6-ditert-butyl-4-methylcyclohexan-1-ol
CID 7037526
4-tert-butyl-2-(4-methylazepan-1-yl)cyclohexan-1-ol
CID 63622112
(2S)-bicyclo[3.1.0]hexan-2-ol
CID 145089467
1,4-ditert-butylcyclohexane;bis(1,4-dimethylcyclohexane)
CID 158485591
(1R,2R,5R)-bicyclo[3.1.0]hexan-2-ol
CID 124541760
[4-tert-butyl-2-(3-methylcyclohexyl)cyclohexyl]methanamine
CID 81011858

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(3,5-dimethylcyclohexyl)cyclohexan-1-ol?
The IUPAC name of 4-tert-butyl-2-(3,5-dimethylcyclohexyl)cyclohexan-1-ol (CID 79423962) is 4-tert-butyl-2-(3,5-dimethylcyclohexyl)cyclohexan-1-ol.
What is the SMILES notation for 4-tert-butyl-2-(3,5-dimethylcyclohexyl)cyclohexan-1-ol?
The canonical SMILES for 4-tert-butyl-2-(3,5-dimethylcyclohexyl)cyclohexan-1-ol is CC1CC(C)CC(C2CC(C(C)(C)C)CCC2O)C1.
What is the InChIKey of 4-tert-butyl-2-(3,5-dimethylcyclohexyl)cyclohexan-1-ol?
The InChIKey is DOKBATZAENRTAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O/c1-12-8-13(2)10-14(9-12)16-11-15(18(3,4)5)6-7-17(16)19/h12-17,19H,6-11H2,1-5H3.
What are the key properties of 4-tert-butyl-2-(3,5-dimethylcyclohexyl)cyclohexan-1-ol?
4-tert-butyl-2-(3,5-dimethylcyclohexyl)cyclohexan-1-ol has a molecular weight of 266.47 g/mol, XLogP of 4.88, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(3,5-dimethylcyclohexyl)cyclohexan-1-ol is sourced from PubChem (CID 79423962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).