3-pentylcyclopentan-1-one

C10H18O — CID 11040911

IUPAC3-pentylcyclopentan-1-one
SMILESCCCCCC1CCC(=O)C1
InChIInChI=1S/C10H18O/c1-2-3-4-5-9-6-7-10(11)8-9/h9H,2-8H2,1H3
InChIKeyGWSPTFQZKGLWES-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.94
Rot. Bonds4

About 3-pentylcyclopentan-1-one

3-pentylcyclopentan-1-one (PubChem CID 11040911) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 3-pentylcyclopentan-1-one.

Molecular Properties

Compound Name3-pentylcyclopentan-1-one
PubChem CID11040911
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name3-pentylcyclopentan-1-one
SMILESCCCCCC1CCC(=O)C1
InChIInChI=1S/C10H18O/c1-2-3-4-5-9-6-7-10(11)8-9/h9H,2-8H2,1H3
InChIKeyGWSPTFQZKGLWES-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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Related Compounds

(3S)-3-hexylcyclohexan-1-one
CID 15091678
3-octylcyclohexan-1-one
CID 11830718
hexadecan-2-one;3-undecylcyclopentan-1-one
CID 69382270
4-decylcyclohexan-1-one
CID 13479948
4-[2-(4-heptylcyclohexyl)ethyl]cyclohexan-1-one
CID 15006713
(3S)-3-(3-methyldecyl)cyclopentan-1-one
CID 142057625
5-tridecylcyclohexane-1,3-dione
CID 71394051
3-[2-(2-heptyl-1,3-dioxolan-2-yl)ethyl]cyclopentan-1-one
CID 144503975
(3S)-3-hex-5-enylcyclopentan-1-one
CID 11159527
5-hexylazepan-3-one
CID 57136018
3-(4-pentylcyclohexyl)cyclohexan-1-one
CID 23041049
bis(3-ethylcyclopentan-1-one);methane
CID 159745334

Frequently Asked Questions

What is the IUPAC name of 3-pentylcyclopentan-1-one?
The IUPAC name of 3-pentylcyclopentan-1-one (CID 11040911) is 3-pentylcyclopentan-1-one.
What is the SMILES notation for 3-pentylcyclopentan-1-one?
The canonical SMILES for 3-pentylcyclopentan-1-one is CCCCCC1CCC(=O)C1.
What is the InChIKey of 3-pentylcyclopentan-1-one?
The InChIKey is GWSPTFQZKGLWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-2-3-4-5-9-6-7-10(11)8-9/h9H,2-8H2,1H3.
What are the key properties of 3-pentylcyclopentan-1-one?
3-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 3-pentylcyclopentan-1-one is sourced from PubChem (CID 11040911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).