3-cyclopropyl-1-(2-methylpentyl)cyclohexan-1-ol

C15H28O — CID 65154059

IUPAC3-cyclopropyl-1-(2-methylpentyl)cyclohexan-1-ol
SMILESCCCC(C)CC1(O)CCCC(C2CC2)C1
InChIInChI=1S/C15H28O/c1-3-5-12(2)10-15(16)9-4-6-14(11-15)13-7-8-13/h12-14,16H,3-11H2,1-2H3
InChIKeyKPJMDRSUQRFJLP-UHFFFAOYSA-N
MW224.39 g/mol
LogP4.14
Rot. Bonds5

About 3-cyclopropyl-1-(2-methylpentyl)cyclohexan-1-ol

3-cyclopropyl-1-(2-methylpentyl)cyclohexan-1-ol (PubChem CID 65154059) has the molecular formula C15H28O and a molecular weight of 224.39 g/mol. Its IUPAC name is 3-cyclopropyl-1-(2-methylpentyl)cyclohexan-1-ol.

Molecular Properties

Compound Name3-cyclopropyl-1-(2-methylpentyl)cyclohexan-1-ol
PubChem CID65154059
Molecular FormulaC15H28O
Molecular Weight224.39 g/mol
Exact Mass224.21
IUPAC Name3-cyclopropyl-1-(2-methylpentyl)cyclohexan-1-ol
SMILESCCCC(C)CC1(O)CCCC(C2CC2)C1
InChIInChI=1S/C15H28O/c1-3-5-12(2)10-15(16)9-4-6-14(11-15)13-7-8-13/h12-14,16H,3-11H2,1-2H3
InChIKeyKPJMDRSUQRFJLP-UHFFFAOYSA-N
XLogP4.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(2-methylpentyl)cyclohexan-1-ol?
The IUPAC name of 3-cyclopropyl-1-(2-methylpentyl)cyclohexan-1-ol (CID 65154059) is 3-cyclopropyl-1-(2-methylpentyl)cyclohexan-1-ol.
What is the SMILES notation for 3-cyclopropyl-1-(2-methylpentyl)cyclohexan-1-ol?
The canonical SMILES for 3-cyclopropyl-1-(2-methylpentyl)cyclohexan-1-ol is CCCC(C)CC1(O)CCCC(C2CC2)C1.
What is the InChIKey of 3-cyclopropyl-1-(2-methylpentyl)cyclohexan-1-ol?
The InChIKey is KPJMDRSUQRFJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O/c1-3-5-12(2)10-15(16)9-4-6-14(11-15)13-7-8-13/h12-14,16H,3-11H2,1-2H3.
What are the key properties of 3-cyclopropyl-1-(2-methylpentyl)cyclohexan-1-ol?
3-cyclopropyl-1-(2-methylpentyl)cyclohexan-1-ol has a molecular weight of 224.39 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(2-methylpentyl)cyclohexan-1-ol is sourced from PubChem (CID 65154059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).