4-[(4-hydroxycyclohexyl)-(4-hydroxy-2-methylcyclohexyl)methyl]-3-methylcyclohexan-1-ol

C21H38O3 — CID 139928251

IUPAC4-[(4-hydroxycyclohexyl)-(4-hydroxy-2-methylcyclohexyl)methyl]-3-methylcyclohexan-1-ol
SMILESCC1CC(O)CCC1C(C1CCC(O)CC1)C1CCC(O)CC1C
InChIInChI=1S/C21H38O3/c1-13-11-17(23)7-9-19(13)21(15-3-5-16(22)6-4-15)20-10-8-18(24)12-14(20)2/h13-24H,3-12H2,1-2H3
InChIKeyRIFOLFZQOZRLHT-UHFFFAOYSA-N
MW338.53 g/mol
LogP3.75
Rot. Bonds3

About 4-[(4-hydroxycyclohexyl)-(4-hydroxy-2-methylcyclohexyl)methyl]-3-methylcyclohexan-1-ol

4-[(4-hydroxycyclohexyl)-(4-hydroxy-2-methylcyclohexyl)methyl]-3-methylcyclohexan-1-ol (PubChem CID 139928251) has the molecular formula C21H38O3 and a molecular weight of 338.53 g/mol. Its IUPAC name is 4-[(4-hydroxycyclohexyl)-(4-hydroxy-2-methylcyclohexyl)methyl]-3-methylcyclohexan-1-ol.

Molecular Properties

Compound Name4-[(4-hydroxycyclohexyl)-(4-hydroxy-2-methylcyclohexyl)methyl]-3-methylcyclohexan-1-ol
PubChem CID139928251
Molecular FormulaC21H38O3
Molecular Weight338.53 g/mol
Exact Mass338.28
IUPAC Name4-[(4-hydroxycyclohexyl)-(4-hydroxy-2-methylcyclohexyl)methyl]-3-methylcyclohexan-1-ol
SMILESCC1CC(O)CCC1C(C1CCC(O)CC1)C1CCC(O)CC1C
InChIInChI=1S/C21H38O3/c1-13-11-17(23)7-9-19(13)21(15-3-5-16(22)6-4-15)20-10-8-18(24)12-14(20)2/h13-24H,3-12H2,1-2H3
InChIKeyRIFOLFZQOZRLHT-UHFFFAOYSA-N
XLogP3.75
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.53
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxycyclohexyl)-(4-hydroxy-2-methylcyclohexyl)methyl]-3-methylcyclohexan-1-ol?
The IUPAC name of 4-[(4-hydroxycyclohexyl)-(4-hydroxy-2-methylcyclohexyl)methyl]-3-methylcyclohexan-1-ol (CID 139928251) is 4-[(4-hydroxycyclohexyl)-(4-hydroxy-2-methylcyclohexyl)methyl]-3-methylcyclohexan-1-ol.
What is the SMILES notation for 4-[(4-hydroxycyclohexyl)-(4-hydroxy-2-methylcyclohexyl)methyl]-3-methylcyclohexan-1-ol?
The canonical SMILES for 4-[(4-hydroxycyclohexyl)-(4-hydroxy-2-methylcyclohexyl)methyl]-3-methylcyclohexan-1-ol is CC1CC(O)CCC1C(C1CCC(O)CC1)C1CCC(O)CC1C.
What is the InChIKey of 4-[(4-hydroxycyclohexyl)-(4-hydroxy-2-methylcyclohexyl)methyl]-3-methylcyclohexan-1-ol?
The InChIKey is RIFOLFZQOZRLHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38O3/c1-13-11-17(23)7-9-19(13)21(15-3-5-16(22)6-4-15)20-10-8-18(24)12-14(20)2/h13-24H,3-12H2,1-2H3.
What are the key properties of 4-[(4-hydroxycyclohexyl)-(4-hydroxy-2-methylcyclohexyl)methyl]-3-methylcyclohexan-1-ol?
4-[(4-hydroxycyclohexyl)-(4-hydroxy-2-methylcyclohexyl)methyl]-3-methylcyclohexan-1-ol has a molecular weight of 338.53 g/mol, XLogP of 3.75, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxycyclohexyl)-(4-hydroxy-2-methylcyclohexyl)methyl]-3-methylcyclohexan-1-ol is sourced from PubChem (CID 139928251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).