(4R)-4-hydroxy-2-pentylcyclopent-2-en-1-one

C10H16O2 — CID 13158022

IUPAC(4R)-4-hydroxy-2-pentylcyclopent-2-en-1-one
SMILESCCCCCC1=C[C@H](O)CC1=O
InChIInChI=1S/C10H16O2/c1-2-3-4-5-8-6-9(11)7-10(8)12/h6,9,11H,2-5,7H2,1H3/t9-/m0/s1
InChIKeyMFQAZKUIBJLVNF-VIFPVBQESA-N
MW168.24 g/mol
LogP1.83
Rot. Bonds4

About (4R)-4-hydroxy-2-pentylcyclopent-2-en-1-one

(4R)-4-hydroxy-2-pentylcyclopent-2-en-1-one (PubChem CID 13158022) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (4R)-4-hydroxy-2-pentylcyclopent-2-en-1-one.

Molecular Properties

Compound Name(4R)-4-hydroxy-2-pentylcyclopent-2-en-1-one
PubChem CID13158022
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(4R)-4-hydroxy-2-pentylcyclopent-2-en-1-one
SMILESCCCCCC1=C[C@H](O)CC1=O
InChIInChI=1S/C10H16O2/c1-2-3-4-5-8-6-9(11)7-10(8)12/h6,9,11H,2-5,7H2,1H3/t9-/m0/s1
InChIKeyMFQAZKUIBJLVNF-VIFPVBQESA-N
XLogP1.83
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(4S)-2-ethyl-4-hydroxycyclopent-2-en-1-one
CID 58922282
7-(3-hydroxy-5-oxocyclopenten-1-yl)heptanoate
CID 20541510
4-hydroxy-2-(8-methoxy-7-oxooctyl)cyclopent-2-en-1-one
CID 12786171
(E)-7-(3-hydroxy-5-oxocyclopenten-1-yl)-2-methylhept-2-enoate
CID 23167668
2-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]-4-hydroxycyclopent-2-en-1-one
CID 139675795
4-hydroxy-2-(methylsulfanylmethyl)cyclopent-2-en-1-one
CID 168967939
2,4-dibutylcyclopent-2-en-1-one
CID 15110256
2-hex-1-enyl-4-hydroxycyclopent-2-en-1-one
CID 57270538
(4R)-2-butyl-4-phenylcyclopent-2-en-1-one
CID 11608201
(4S)-4-hydroxy-2-prop-2-enylcyclopent-2-en-1-one
CID 13037858
(4R)-4-hydroxy-2-(silyloxymethyl)cyclopent-2-en-1-one
CID 175830816
(3-hydroxy-5-oxocyclopenten-1-yl)methyl acetate
CID 142487361

Frequently Asked Questions

What is the IUPAC name of (4R)-4-hydroxy-2-pentylcyclopent-2-en-1-one?
The IUPAC name of (4R)-4-hydroxy-2-pentylcyclopent-2-en-1-one (CID 13158022) is (4R)-4-hydroxy-2-pentylcyclopent-2-en-1-one.
What is the SMILES notation for (4R)-4-hydroxy-2-pentylcyclopent-2-en-1-one?
The canonical SMILES for (4R)-4-hydroxy-2-pentylcyclopent-2-en-1-one is CCCCCC1=C[C@H](O)CC1=O.
What is the InChIKey of (4R)-4-hydroxy-2-pentylcyclopent-2-en-1-one?
The InChIKey is MFQAZKUIBJLVNF-VIFPVBQESA-N. The full InChI is InChI=1S/C10H16O2/c1-2-3-4-5-8-6-9(11)7-10(8)12/h6,9,11H,2-5,7H2,1H3/t9-/m0/s1.
What are the key properties of (4R)-4-hydroxy-2-pentylcyclopent-2-en-1-one?
(4R)-4-hydroxy-2-pentylcyclopent-2-en-1-one has a molecular weight of 168.24 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-hydroxy-2-pentylcyclopent-2-en-1-one is sourced from PubChem (CID 13158022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).