1-[3-[2-[3-[1-[3-(1-hydroxyethyl)cyclohexyl]propan-2-yl]cyclohexyl]propyl]cyclohexyl]ethanol

C28H52O2 — CID 70901269

IUPAC1-[3-[2-[3-[1-[3-(1-hydroxyethyl)cyclohexyl]propan-2-yl]cyclohexyl]propyl]cyclohexyl]ethanol
SMILESCC(O)C1CCCC(CC(C)C2CCCC(C(C)CC3CCCC(C(C)O)C3)C2)C1
InChIInChI=1S/C28H52O2/c1-19(14-23-8-5-12-27(16-23)21(3)29)25-10-7-11-26(18-25)20(2)15-24-9-6-13-28(17-24)22(4)30/h19-30H,5-18H2,1-4H3
InChIKeyVMSNQXQPQLBGDY-UHFFFAOYSA-N
MW420.72 g/mol
LogP7.22
Rot. Bonds8

About 1-[3-[2-[3-[1-[3-(1-hydroxyethyl)cyclohexyl]propan-2-yl]cyclohexyl]propyl]cyclohexyl]ethanol

1-[3-[2-[3-[1-[3-(1-hydroxyethyl)cyclohexyl]propan-2-yl]cyclohexyl]propyl]cyclohexyl]ethanol (PubChem CID 70901269) has the molecular formula C28H52O2 and a molecular weight of 420.72 g/mol. Its IUPAC name is 1-[3-[2-[3-[1-[3-(1-hydroxyethyl)cyclohexyl]propan-2-yl]cyclohexyl]propyl]cyclohexyl]ethanol.

Molecular Properties

Compound Name1-[3-[2-[3-[1-[3-(1-hydroxyethyl)cyclohexyl]propan-2-yl]cyclohexyl]propyl]cyclohexyl]ethanol
PubChem CID70901269
Molecular FormulaC28H52O2
Molecular Weight420.72 g/mol
Exact Mass420.40
IUPAC Name1-[3-[2-[3-[1-[3-(1-hydroxyethyl)cyclohexyl]propan-2-yl]cyclohexyl]propyl]cyclohexyl]ethanol
SMILESCC(O)C1CCCC(CC(C)C2CCCC(C(C)CC3CCCC(C(C)O)C3)C2)C1
InChIInChI=1S/C28H52O2/c1-19(14-23-8-5-12-27(16-23)21(3)29)25-10-7-11-26(18-25)20(2)15-24-9-6-13-28(17-24)22(4)30/h19-30H,5-18H2,1-4H3
InChIKeyVMSNQXQPQLBGDY-UHFFFAOYSA-N
XLogP7.22
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.72
LogP ≤ 57.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-[3-[1-[3-(1-hydroxyethyl)cyclohexyl]propan-2-yl]cyclohexyl]propyl]cyclohexyl]ethanol?
The IUPAC name of 1-[3-[2-[3-[1-[3-(1-hydroxyethyl)cyclohexyl]propan-2-yl]cyclohexyl]propyl]cyclohexyl]ethanol (CID 70901269) is 1-[3-[2-[3-[1-[3-(1-hydroxyethyl)cyclohexyl]propan-2-yl]cyclohexyl]propyl]cyclohexyl]ethanol.
What is the SMILES notation for 1-[3-[2-[3-[1-[3-(1-hydroxyethyl)cyclohexyl]propan-2-yl]cyclohexyl]propyl]cyclohexyl]ethanol?
The canonical SMILES for 1-[3-[2-[3-[1-[3-(1-hydroxyethyl)cyclohexyl]propan-2-yl]cyclohexyl]propyl]cyclohexyl]ethanol is CC(O)C1CCCC(CC(C)C2CCCC(C(C)CC3CCCC(C(C)O)C3)C2)C1.
What is the InChIKey of 1-[3-[2-[3-[1-[3-(1-hydroxyethyl)cyclohexyl]propan-2-yl]cyclohexyl]propyl]cyclohexyl]ethanol?
The InChIKey is VMSNQXQPQLBGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H52O2/c1-19(14-23-8-5-12-27(16-23)21(3)29)25-10-7-11-26(18-25)20(2)15-24-9-6-13-28(17-24)22(4)30/h19-30H,5-18H2,1-4H3.
What are the key properties of 1-[3-[2-[3-[1-[3-(1-hydroxyethyl)cyclohexyl]propan-2-yl]cyclohexyl]propyl]cyclohexyl]ethanol?
1-[3-[2-[3-[1-[3-(1-hydroxyethyl)cyclohexyl]propan-2-yl]cyclohexyl]propyl]cyclohexyl]ethanol has a molecular weight of 420.72 g/mol, XLogP of 7.22, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-[3-[1-[3-(1-hydroxyethyl)cyclohexyl]propan-2-yl]cyclohexyl]propyl]cyclohexyl]ethanol is sourced from PubChem (CID 70901269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).