4-[4-(4-hydroxycyclohexyl)octan-4-yl]cyclohexan-1-ol

C20H38O2 — CID 139824861

IUPAC4-[4-(4-hydroxycyclohexyl)octan-4-yl]cyclohexan-1-ol
SMILESCCCCC(CCC)(C1CCC(O)CC1)C1CCC(O)CC1
InChIInChI=1S/C20H38O2/c1-3-5-15-20(14-4-2,16-6-10-18(21)11-7-16)17-8-12-19(22)13-9-17/h16-19,21-22H,3-15H2,1-2H3
InChIKeyQUUQPCOPUQDVBR-UHFFFAOYSA-N
MW310.52 g/mol
LogP5.07
Rot. Bonds7

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

4-[4-(4-hydroxycyclohexyl)octan-4-yl]cyclohexan-1-ol (PubChem CID 139824861) has the molecular formula C20H38O2 and a molecular weight of 310.52 g/mol. Its IUPAC name is 4-[4-(4-hydroxycyclohexyl)octan-4-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[4-(4-hydroxycyclohexyl)octan-4-yl]cyclohexan-1-ol
PubChem CID139824861
Molecular FormulaC20H38O2
Molecular Weight310.52 g/mol
Exact Mass310.29
IUPAC Name4-[4-(4-hydroxycyclohexyl)octan-4-yl]cyclohexan-1-ol
SMILESCCCCC(CCC)(C1CCC(O)CC1)C1CCC(O)CC1
InChIInChI=1S/C20H38O2/c1-3-5-15-20(14-4-2,16-6-10-18(21)11-7-16)17-8-12-19(22)13-9-17/h16-19,21-22H,3-15H2,1-2H3
InChIKeyQUUQPCOPUQDVBR-UHFFFAOYSA-N
XLogP5.07
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.52
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[4-(4-hydroxycyclohexyl)octan-4-yl]cyclohexan-1-ol with MolForge

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Related Compounds

4-[2-(4-hydroxycyclohexyl)hexan-2-yl]cyclohexan-1-ol
CID 139753129
2,6-ditert-butyl-4-[4-(3,5-ditert-butyl-4-hydroxycyclohexyl)octan-4-yl]cyclohexan-1-ol
CID 139824859
4-[4-(4-aminocyclohexyl)heptan-4-yl]cyclohexan-1-amine
CID 70405451
6-cyclohexylundecan-6-ylcyclohexane
CID 140522686
6,15-dicyclohexylpentadecan-6-ylcyclohexane
CID 143323723
CID 10984875
CID 10984875
4-[4-(4-aminocyclohexyl)heptan-4-yl]cyclohexan-1-amine;4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine
CID 70405450
4-[2-(4-hydroxy-3-methylcyclohexyl)hexan-2-yl]-2-methylcyclohexan-1-ol
CID 139825078
4-propylcycloheptan-1-ol
CID 15687798
1,1-dicyclopropylheptan-1-ol
CID 170160591
2,7-ditert-butyl-9-(5-cyclopentylnonan-5-yl)-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene
CID 59582264
4-[4-(3-methylpentan-3-yl)cyclohexyl]cyclohexan-1-ol
CID 143129669

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-hydroxycyclohexyl)octan-4-yl]cyclohexan-1-ol?
The IUPAC name of 4-[4-(4-hydroxycyclohexyl)octan-4-yl]cyclohexan-1-ol (CID 139824861) is 4-[4-(4-hydroxycyclohexyl)octan-4-yl]cyclohexan-1-ol.
What is the SMILES notation for 4-[4-(4-hydroxycyclohexyl)octan-4-yl]cyclohexan-1-ol?
The canonical SMILES for 4-[4-(4-hydroxycyclohexyl)octan-4-yl]cyclohexan-1-ol is CCCCC(CCC)(C1CCC(O)CC1)C1CCC(O)CC1.
What is the InChIKey of 4-[4-(4-hydroxycyclohexyl)octan-4-yl]cyclohexan-1-ol?
The InChIKey is QUUQPCOPUQDVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O2/c1-3-5-15-20(14-4-2,16-6-10-18(21)11-7-16)17-8-12-19(22)13-9-17/h16-19,21-22H,3-15H2,1-2H3.
What are the key properties of 4-[4-(4-hydroxycyclohexyl)octan-4-yl]cyclohexan-1-ol?
4-[4-(4-hydroxycyclohexyl)octan-4-yl]cyclohexan-1-ol has a molecular weight of 310.52 g/mol, XLogP of 5.07, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-hydroxycyclohexyl)octan-4-yl]cyclohexan-1-ol is sourced from PubChem (CID 139824861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).