2-pentylcyclopentan-1-one

C10H18O — CID 20959

IUPAC2-pentylcyclopentan-1-one
SMILESCCCCCC1CCCC1=O
InChIInChI=1S/C10H18O/c1-2-3-4-6-9-7-5-8-10(9)11/h9H,2-8H2,1H3
InChIKeyVNWOJVJCRAHBJJ-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.94
Rot. Bonds4

About 2-pentylcyclopentan-1-one

2-pentylcyclopentan-1-one (PubChem CID 20959) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 2-pentylcyclopentan-1-one.

Molecular Properties

Compound Name2-pentylcyclopentan-1-one
PubChem CID20959
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name2-pentylcyclopentan-1-one
SMILESCCCCCC1CCCC1=O
InChIInChI=1S/C10H18O/c1-2-3-4-6-9-7-5-8-10(9)11/h9H,2-8H2,1H3
InChIKeyVNWOJVJCRAHBJJ-UHFFFAOYSA-N
XLogP2.94
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.94
H-Bond Donors ≤ 50
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-pentylcyclopentan-1-one?
The IUPAC name of 2-pentylcyclopentan-1-one (CID 20959) is 2-pentylcyclopentan-1-one.
What is the SMILES notation for 2-pentylcyclopentan-1-one?
The canonical SMILES for 2-pentylcyclopentan-1-one is CCCCCC1CCCC1=O.
What is the InChIKey of 2-pentylcyclopentan-1-one?
The InChIKey is VNWOJVJCRAHBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-2-3-4-6-9-7-5-8-10(9)11/h9H,2-8H2,1H3.
What are the key properties of 2-pentylcyclopentan-1-one?
2-pentylcyclopentan-1-one has a molecular weight of 154.25 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentylcyclopentan-1-one is sourced from PubChem (CID 20959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).