4-[2,2-bis(4-hydroxycyclohexyl)ethyl]cyclohexan-1-ol

C20H36O3 — CID 138556605

IUPAC4-[2,2-bis(4-hydroxycyclohexyl)ethyl]cyclohexan-1-ol
SMILESOC1CCC(CC(C2CCC(O)CC2)C2CCC(O)CC2)CC1
InChIInChI=1S/C20H36O3/c21-17-7-1-14(2-8-17)13-20(15-3-9-18(22)10-4-15)16-5-11-19(23)12-6-16/h14-23H,1-13H2
InChIKeyKIIXMMNHQXBIBF-UHFFFAOYSA-N
MW324.50 g/mol
LogP3.65
Rot. Bonds4

About 4-[2,2-bis(4-hydroxycyclohexyl)ethyl]cyclohexan-1-ol

4-[2,2-bis(4-hydroxycyclohexyl)ethyl]cyclohexan-1-ol (PubChem CID 138556605) has the molecular formula C20H36O3 and a molecular weight of 324.50 g/mol. Its IUPAC name is 4-[2,2-bis(4-hydroxycyclohexyl)ethyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[2,2-bis(4-hydroxycyclohexyl)ethyl]cyclohexan-1-ol
PubChem CID138556605
Molecular FormulaC20H36O3
Molecular Weight324.50 g/mol
Exact Mass324.27
IUPAC Name4-[2,2-bis(4-hydroxycyclohexyl)ethyl]cyclohexan-1-ol
SMILESOC1CCC(CC(C2CCC(O)CC2)C2CCC(O)CC2)CC1
InChIInChI=1S/C20H36O3/c21-17-7-1-14(2-8-17)13-20(15-3-9-18(22)10-4-15)16-5-11-19(23)12-6-16/h14-23H,1-13H2
InChIKeyKIIXMMNHQXBIBF-UHFFFAOYSA-N
XLogP3.65
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.50
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dicyclopropylethylcyclobutane
CID 57317303
4-(3-amino-2-methylpropyl)cyclohexan-1-ol
CID 174312157
1,2-dicyclohexylethylcyclohexane
CID 158413043
(2S)-3-(4-hydroxycyclohexyl)-2-methylpropanoic acid
CID 99962556
4-propan-2-ylcyclohexan-1-ol
CID 159817143
cyclohexane-1,4-diol
CID 11162
4-(2-ethyl-3,3-dimethylbutyl)cyclohexan-1-ol
CID 22486950
4-[1-(4-hydroxycyclohexyl)decyl]cyclohexan-1-ol
CID 150695272
4-(diiodomethyl)cyclohexan-1-ol
CID 89029318
4-(2-cyclohexylbutyl)cyclohexan-1-ol
CID 143270572
2-[(4-hydroxycyclohexyl)methyl]butanoic acid
CID 142704422
4-[1-(methylamino)propyl]cyclohexan-1-ol
CID 116956981

Frequently Asked Questions

What is the IUPAC name of 4-[2,2-bis(4-hydroxycyclohexyl)ethyl]cyclohexan-1-ol?
The IUPAC name of 4-[2,2-bis(4-hydroxycyclohexyl)ethyl]cyclohexan-1-ol (CID 138556605) is 4-[2,2-bis(4-hydroxycyclohexyl)ethyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[2,2-bis(4-hydroxycyclohexyl)ethyl]cyclohexan-1-ol?
The canonical SMILES for 4-[2,2-bis(4-hydroxycyclohexyl)ethyl]cyclohexan-1-ol is OC1CCC(CC(C2CCC(O)CC2)C2CCC(O)CC2)CC1.
What is the InChIKey of 4-[2,2-bis(4-hydroxycyclohexyl)ethyl]cyclohexan-1-ol?
The InChIKey is KIIXMMNHQXBIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36O3/c21-17-7-1-14(2-8-17)13-20(15-3-9-18(22)10-4-15)16-5-11-19(23)12-6-16/h14-23H,1-13H2.
What are the key properties of 4-[2,2-bis(4-hydroxycyclohexyl)ethyl]cyclohexan-1-ol?
4-[2,2-bis(4-hydroxycyclohexyl)ethyl]cyclohexan-1-ol has a molecular weight of 324.50 g/mol, XLogP of 3.65, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,2-bis(4-hydroxycyclohexyl)ethyl]cyclohexan-1-ol is sourced from PubChem (CID 138556605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).