4-[2-(4-hydroxycyclohexyl)hexan-2-yl]cyclohexan-1-ol

C18H34O2 — CID 139753129

IUPAC4-[2-(4-hydroxycyclohexyl)hexan-2-yl]cyclohexan-1-ol
SMILESCCCCC(C)(C1CCC(O)CC1)C1CCC(O)CC1
InChIInChI=1S/C18H34O2/c1-3-4-13-18(2,14-5-9-16(19)10-6-14)15-7-11-17(20)12-8-15/h14-17,19-20H,3-13H2,1-2H3
InChIKeyQHXGPGMPOWXCAI-UHFFFAOYSA-N
MW282.47 g/mol
LogP4.29
Rot. Bonds5

About 4-[2-(4-hydroxycyclohexyl)hexan-2-yl]cyclohexan-1-ol

4-[2-(4-hydroxycyclohexyl)hexan-2-yl]cyclohexan-1-ol (PubChem CID 139753129) has the molecular formula C18H34O2 and a molecular weight of 282.47 g/mol. Its IUPAC name is 4-[2-(4-hydroxycyclohexyl)hexan-2-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[2-(4-hydroxycyclohexyl)hexan-2-yl]cyclohexan-1-ol
PubChem CID139753129
Molecular FormulaC18H34O2
Molecular Weight282.47 g/mol
Exact Mass282.26
IUPAC Name4-[2-(4-hydroxycyclohexyl)hexan-2-yl]cyclohexan-1-ol
SMILESCCCCC(C)(C1CCC(O)CC1)C1CCC(O)CC1
InChIInChI=1S/C18H34O2/c1-3-4-13-18(2,14-5-9-16(19)10-6-14)15-7-11-17(20)12-8-15/h14-17,19-20H,3-13H2,1-2H3
InChIKeyQHXGPGMPOWXCAI-UHFFFAOYSA-N
XLogP4.29
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-(4-hydroxycyclohexyl)octan-4-yl]cyclohexan-1-ol
CID 139824861
4-[2-(4-hydroxy-3-methylcyclohexyl)hexan-2-yl]-2-methylcyclohexan-1-ol
CID 139825078
2-cyclopropylpentan-2-ylcyclobutane
CID 173163252
CID 10984875
CID 10984875
4-tert-butylcyclohexan-1-ol;methane
CID 159612628
4-[4-(3-methylpentan-3-yl)cyclohexyl]cyclohexan-1-ol
CID 143129669
4-[2-(4-hydroxy-3-methylcyclohexyl)pentan-2-yl]-2-methylcyclohexan-1-ol
CID 139825054
4-(2,2-dimethylheptan-3-yl)cyclohexan-1-ol
CID 149361813
4-[2-(4-ethoxycyclohexyl)propan-2-yl]cyclohexan-1-ol
CID 70671036
4-propylcycloheptan-1-ol
CID 15687798
1,1-dicyclopropylheptan-1-ol
CID 170160591
4-[1-cyclohexyl-1-(4-hydroxycyclohexyl)ethyl]cyclohexan-1-ol
CID 20743939

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-hydroxycyclohexyl)hexan-2-yl]cyclohexan-1-ol?
The IUPAC name of 4-[2-(4-hydroxycyclohexyl)hexan-2-yl]cyclohexan-1-ol (CID 139753129) is 4-[2-(4-hydroxycyclohexyl)hexan-2-yl]cyclohexan-1-ol.
What is the SMILES notation for 4-[2-(4-hydroxycyclohexyl)hexan-2-yl]cyclohexan-1-ol?
The canonical SMILES for 4-[2-(4-hydroxycyclohexyl)hexan-2-yl]cyclohexan-1-ol is CCCCC(C)(C1CCC(O)CC1)C1CCC(O)CC1.
What is the InChIKey of 4-[2-(4-hydroxycyclohexyl)hexan-2-yl]cyclohexan-1-ol?
The InChIKey is QHXGPGMPOWXCAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O2/c1-3-4-13-18(2,14-5-9-16(19)10-6-14)15-7-11-17(20)12-8-15/h14-17,19-20H,3-13H2,1-2H3.
What are the key properties of 4-[2-(4-hydroxycyclohexyl)hexan-2-yl]cyclohexan-1-ol?
4-[2-(4-hydroxycyclohexyl)hexan-2-yl]cyclohexan-1-ol has a molecular weight of 282.47 g/mol, XLogP of 4.29, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-hydroxycyclohexyl)hexan-2-yl]cyclohexan-1-ol is sourced from PubChem (CID 139753129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).