(3S)-3-(1-hydroxypentyl)cyclopentan-1-one

C10H18O2 — CID 58071880

IUPAC(3S)-3-(1-hydroxypentyl)cyclopentan-1-one
SMILESCCCCC(O)[C@H]1CCC(=O)C1
InChIInChI=1S/C10H18O2/c1-2-3-4-10(12)8-5-6-9(11)7-8/h8,10,12H,2-7H2,1H3/t8-,10?/m0/s1
InChIKeyPEFUCPJQHRCOJO-PEHGTWAWSA-N
MW170.25 g/mol
LogP1.91
Rot. Bonds4

About (3S)-3-(1-hydroxypentyl)cyclopentan-1-one

(3S)-3-(1-hydroxypentyl)cyclopentan-1-one (PubChem CID 58071880) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (3S)-3-(1-hydroxypentyl)cyclopentan-1-one.

Molecular Properties

Compound Name(3S)-3-(1-hydroxypentyl)cyclopentan-1-one
PubChem CID58071880
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(3S)-3-(1-hydroxypentyl)cyclopentan-1-one
SMILESCCCCC(O)[C@H]1CCC(=O)C1
InChIInChI=1S/C10H18O2/c1-2-3-4-10(12)8-5-6-9(11)7-8/h8,10,12H,2-7H2,1H3/t8-,10?/m0/s1
InChIKeyPEFUCPJQHRCOJO-PEHGTWAWSA-N
XLogP1.91
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(1-hydroxypentyl)cyclopentan-1-one?
The IUPAC name of (3S)-3-(1-hydroxypentyl)cyclopentan-1-one (CID 58071880) is (3S)-3-(1-hydroxypentyl)cyclopentan-1-one.
What is the SMILES notation for (3S)-3-(1-hydroxypentyl)cyclopentan-1-one?
The canonical SMILES for (3S)-3-(1-hydroxypentyl)cyclopentan-1-one is CCCCC(O)[C@H]1CCC(=O)C1.
What is the InChIKey of (3S)-3-(1-hydroxypentyl)cyclopentan-1-one?
The InChIKey is PEFUCPJQHRCOJO-PEHGTWAWSA-N. The full InChI is InChI=1S/C10H18O2/c1-2-3-4-10(12)8-5-6-9(11)7-8/h8,10,12H,2-7H2,1H3/t8-,10?/m0/s1.
What are the key properties of (3S)-3-(1-hydroxypentyl)cyclopentan-1-one?
(3S)-3-(1-hydroxypentyl)cyclopentan-1-one has a molecular weight of 170.25 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(1-hydroxypentyl)cyclopentan-1-one is sourced from PubChem (CID 58071880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).