4-[2-[3-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexyl]propan-2-yl]cyclohexan-1-ol

C24H44O2 — CID 14204907

IUPAC4-[2-[3-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexyl]propan-2-yl]cyclohexan-1-ol
SMILESCC(C)(C1CCC(O)CC1)C1CCCC(C(C)(C)C2CCC(O)CC2)C1
InChIInChI=1S/C24H44O2/c1-23(2,17-8-12-21(25)13-9-17)19-6-5-7-20(16-19)24(3,4)18-10-14-22(26)15-11-18/h17-22,25-26H,5-16H2,1-4H3
InChIKeyQCTBIMSAJXBLQH-UHFFFAOYSA-N
MW364.61 g/mol
LogP5.95
Rot. Bonds4

About 4-[2-[3-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexyl]propan-2-yl]cyclohexan-1-ol

4-[2-[3-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexyl]propan-2-yl]cyclohexan-1-ol (PubChem CID 14204907) has the molecular formula C24H44O2 and a molecular weight of 364.61 g/mol. Its IUPAC name is 4-[2-[3-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexyl]propan-2-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[2-[3-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexyl]propan-2-yl]cyclohexan-1-ol
PubChem CID14204907
Molecular FormulaC24H44O2
Molecular Weight364.61 g/mol
Exact Mass364.33
IUPAC Name4-[2-[3-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexyl]propan-2-yl]cyclohexan-1-ol
SMILESCC(C)(C1CCC(O)CC1)C1CCCC(C(C)(C)C2CCC(O)CC2)C1
InChIInChI=1S/C24H44O2/c1-23(2,17-8-12-21(25)13-9-17)19-6-5-7-20(16-19)24(3,4)18-10-14-22(26)15-11-18/h17-22,25-26H,5-16H2,1-4H3
InChIKeyQCTBIMSAJXBLQH-UHFFFAOYSA-N
XLogP5.95
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.61
LogP ≤ 55.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexyl]propan-2-yl]cyclohexan-1-ol?
The IUPAC name of 4-[2-[3-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexyl]propan-2-yl]cyclohexan-1-ol (CID 14204907) is 4-[2-[3-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexyl]propan-2-yl]cyclohexan-1-ol.
What is the SMILES notation for 4-[2-[3-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexyl]propan-2-yl]cyclohexan-1-ol?
The canonical SMILES for 4-[2-[3-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexyl]propan-2-yl]cyclohexan-1-ol is CC(C)(C1CCC(O)CC1)C1CCCC(C(C)(C)C2CCC(O)CC2)C1.
What is the InChIKey of 4-[2-[3-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexyl]propan-2-yl]cyclohexan-1-ol?
The InChIKey is QCTBIMSAJXBLQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44O2/c1-23(2,17-8-12-21(25)13-9-17)19-6-5-7-20(16-19)24(3,4)18-10-14-22(26)15-11-18/h17-22,25-26H,5-16H2,1-4H3.
What are the key properties of 4-[2-[3-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexyl]propan-2-yl]cyclohexan-1-ol?
4-[2-[3-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexyl]propan-2-yl]cyclohexan-1-ol has a molecular weight of 364.61 g/mol, XLogP of 5.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexyl]propan-2-yl]cyclohexan-1-ol is sourced from PubChem (CID 14204907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).