cis-(1R,3S)-3-[4-(4-heptylcyclohexyl)cyclohexyl]cyclohexan-1-ol

C25H46O — CID 18640317

IUPACcis-(1R,3S)-3-[4-(4-heptylcyclohexyl)cyclohexyl]cyclohexan-1-ol
SMILESCCCCCCCC1CCC(C2CCC([C@H]3CCC[C@@H](O)C3)CC2)CC1
InChIInChI=1S/C25H46O/c1-2-3-4-5-6-8-20-11-13-21(14-12-20)22-15-17-23(18-16-22)24-9-7-10-25(26)19-24/h20-26H,2-19H2,1H3/t20?,21?,22?,23?,24-,25+/m0/s1
InChIKeySLUSRSNZLLVNCQ-KCAONXANSA-N
MW362.64 g/mol
LogP7.51
Rot. Bonds8

About cis-(1R,3S)-3-[4-(4-heptylcyclohexyl)cyclohexyl]cyclohexan-1-ol

cis-(1R,3S)-3-[4-(4-heptylcyclohexyl)cyclohexyl]cyclohexan-1-ol (PubChem CID 18640317) has the molecular formula C25H46O and a molecular weight of 362.64 g/mol. Its IUPAC name is cis-(1R,3S)-3-[4-(4-heptylcyclohexyl)cyclohexyl]cyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1R,3S)-3-[4-(4-heptylcyclohexyl)cyclohexyl]cyclohexan-1-ol
PubChem CID18640317
Molecular FormulaC25H46O
Molecular Weight362.64 g/mol
Exact Mass362.35
IUPAC Namecis-(1R,3S)-3-[4-(4-heptylcyclohexyl)cyclohexyl]cyclohexan-1-ol
SMILESCCCCCCCC1CCC(C2CCC([C@H]3CCC[C@@H](O)C3)CC2)CC1
InChIInChI=1S/C25H46O/c1-2-3-4-5-6-8-20-11-13-21(14-12-20)22-15-17-23(18-16-22)24-9-7-10-25(26)19-24/h20-26H,2-19H2,1H3/t20?,21?,22?,23?,24-,25+/m0/s1
InChIKeySLUSRSNZLLVNCQ-KCAONXANSA-N
XLogP7.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.64
LogP ≤ 57.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[4-(4-heptylcyclohexyl)cyclohexyl]cyclohexan-1-ol?
The IUPAC name of cis-(1R,3S)-3-[4-(4-heptylcyclohexyl)cyclohexyl]cyclohexan-1-ol (CID 18640317) is cis-(1R,3S)-3-[4-(4-heptylcyclohexyl)cyclohexyl]cyclohexan-1-ol.
What is the SMILES notation for cis-(1R,3S)-3-[4-(4-heptylcyclohexyl)cyclohexyl]cyclohexan-1-ol?
The canonical SMILES for cis-(1R,3S)-3-[4-(4-heptylcyclohexyl)cyclohexyl]cyclohexan-1-ol is CCCCCCCC1CCC(C2CCC([C@H]3CCC[C@@H](O)C3)CC2)CC1.
What is the InChIKey of cis-(1R,3S)-3-[4-(4-heptylcyclohexyl)cyclohexyl]cyclohexan-1-ol?
The InChIKey is SLUSRSNZLLVNCQ-KCAONXANSA-N. The full InChI is InChI=1S/C25H46O/c1-2-3-4-5-6-8-20-11-13-21(14-12-20)22-15-17-23(18-16-22)24-9-7-10-25(26)19-24/h20-26H,2-19H2,1H3/t20?,21?,22?,23?,24-,25+/m0/s1.
What are the key properties of cis-(1R,3S)-3-[4-(4-heptylcyclohexyl)cyclohexyl]cyclohexan-1-ol?
cis-(1R,3S)-3-[4-(4-heptylcyclohexyl)cyclohexyl]cyclohexan-1-ol has a molecular weight of 362.64 g/mol, XLogP of 7.51, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[4-(4-heptylcyclohexyl)cyclohexyl]cyclohexan-1-ol is sourced from PubChem (CID 18640317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).