2-(4-methylpentyl)-5-pentylcyclopentan-1-ol

C16H32O — CID 22937327

IUPAC2-(4-methylpentyl)-5-pentylcyclopentan-1-ol
SMILESCCCCCC1CCC(CCCC(C)C)C1O
InChIInChI=1S/C16H32O/c1-4-5-6-9-14-11-12-15(16(14)17)10-7-8-13(2)3/h13-17H,4-12H2,1-3H3
InChIKeyXNNMNRONZKIUFL-UHFFFAOYSA-N
MW240.43 g/mol
LogP4.78
Rot. Bonds8

About 2-(4-methylpentyl)-5-pentylcyclopentan-1-ol

2-(4-methylpentyl)-5-pentylcyclopentan-1-ol (PubChem CID 22937327) has the molecular formula C16H32O and a molecular weight of 240.43 g/mol. Its IUPAC name is 2-(4-methylpentyl)-5-pentylcyclopentan-1-ol.

Molecular Properties

Compound Name2-(4-methylpentyl)-5-pentylcyclopentan-1-ol
PubChem CID22937327
Molecular FormulaC16H32O
Molecular Weight240.43 g/mol
Exact Mass240.25
IUPAC Name2-(4-methylpentyl)-5-pentylcyclopentan-1-ol
SMILESCCCCCC1CCC(CCCC(C)C)C1O
InChIInChI=1S/C16H32O/c1-4-5-6-9-14-11-12-15(16(14)17)10-7-8-13(2)3/h13-17H,4-12H2,1-3H3
InChIKeyXNNMNRONZKIUFL-UHFFFAOYSA-N
XLogP4.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 54.78
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 2-(4-methylpentyl)-5-pentylcyclopentan-1-ol?
The IUPAC name of 2-(4-methylpentyl)-5-pentylcyclopentan-1-ol (CID 22937327) is 2-(4-methylpentyl)-5-pentylcyclopentan-1-ol.
What is the SMILES notation for 2-(4-methylpentyl)-5-pentylcyclopentan-1-ol?
The canonical SMILES for 2-(4-methylpentyl)-5-pentylcyclopentan-1-ol is CCCCCC1CCC(CCCC(C)C)C1O.
What is the InChIKey of 2-(4-methylpentyl)-5-pentylcyclopentan-1-ol?
The InChIKey is XNNMNRONZKIUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O/c1-4-5-6-9-14-11-12-15(16(14)17)10-7-8-13(2)3/h13-17H,4-12H2,1-3H3.
What are the key properties of 2-(4-methylpentyl)-5-pentylcyclopentan-1-ol?
2-(4-methylpentyl)-5-pentylcyclopentan-1-ol has a molecular weight of 240.43 g/mol, XLogP of 4.78, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpentyl)-5-pentylcyclopentan-1-ol is sourced from PubChem (CID 22937327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).