(5R)-5-(4-hydroxybutyl)-3-methoxycyclopent-2-en-1-one

C10H16O3 — CID 135004148

IUPAC(5R)-5-(4-hydroxybutyl)-3-methoxycyclopent-2-en-1-one
SMILESCOC1=CC(=O)[C@H](CCCCO)C1
InChIInChI=1S/C10H16O3/c1-13-9-6-8(10(12)7-9)4-2-3-5-11/h7-8,11H,2-6H2,1H3/t8-/m1/s1
InChIKeyLFAUGJJEESBLRM-MRVPVSSYSA-N
MW184.23 g/mol
LogP1.27
Rot. Bonds5

About (5R)-5-(4-hydroxybutyl)-3-methoxycyclopent-2-en-1-one

(5R)-5-(4-hydroxybutyl)-3-methoxycyclopent-2-en-1-one (PubChem CID 135004148) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is (5R)-5-(4-hydroxybutyl)-3-methoxycyclopent-2-en-1-one.

Molecular Properties

Compound Name(5R)-5-(4-hydroxybutyl)-3-methoxycyclopent-2-en-1-one
PubChem CID135004148
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name(5R)-5-(4-hydroxybutyl)-3-methoxycyclopent-2-en-1-one
SMILESCOC1=CC(=O)[C@H](CCCCO)C1
InChIInChI=1S/C10H16O3/c1-13-9-6-8(10(12)7-9)4-2-3-5-11/h7-8,11H,2-6H2,1H3/t8-/m1/s1
InChIKeyLFAUGJJEESBLRM-MRVPVSSYSA-N
XLogP1.27
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (5R)-5-(4-hydroxybutyl)-3-methoxycyclopent-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-Butyl-3-methoxy-2-cyclopenten-1-one
CID 574327
3-Ethoxy-7-(prop-2-en-1-yl)cyclohept-2-en-1-one
CID 15670652
(4R,5R)-3-methoxy-4,5-dipropylcyclopent-2-en-1-one
CID 14068210
2-Cyclopenten-1-one, 4-butyl-3-methoxy-
CID 573931
5-(4-Hydroxybutyl)-3-methylcyclopent-2-en-1-one
CID 14968963
(5R)-5-(hydroxymethyl)-3-methoxycyclohex-2-en-1-one
CID 10012134
3-Methoxy-5-methylol-cyclohex-2-en-1-one
CID 14193313
4-Hexyl-3-hydroxycyclopent-2-en-1-one
CID 20149026
3-(2-Methylpropoxy)-7-prop-2-enylcyclohept-2-en-1-one
CID 20263824
3-(2-Methylpropoxy)-5-propylcyclopent-2-en-1-one
CID 20263856
3-Ethoxy-6-(3-hydroxypropyl)cyclohex-2-enone
CID 25241751
(5S)-5-(3-hydroxypropyl)-6-methyl-2-cyclohexene-1-one
CID 57190765

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(4-hydroxybutyl)-3-methoxycyclopent-2-en-1-one?
The IUPAC name of (5R)-5-(4-hydroxybutyl)-3-methoxycyclopent-2-en-1-one (CID 135004148) is (5R)-5-(4-hydroxybutyl)-3-methoxycyclopent-2-en-1-one.
What is the SMILES notation for (5R)-5-(4-hydroxybutyl)-3-methoxycyclopent-2-en-1-one?
The canonical SMILES for (5R)-5-(4-hydroxybutyl)-3-methoxycyclopent-2-en-1-one is COC1=CC(=O)[C@H](CCCCO)C1.
What is the InChIKey of (5R)-5-(4-hydroxybutyl)-3-methoxycyclopent-2-en-1-one?
The InChIKey is LFAUGJJEESBLRM-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H16O3/c1-13-9-6-8(10(12)7-9)4-2-3-5-11/h7-8,11H,2-6H2,1H3/t8-/m1/s1.
What are the key properties of (5R)-5-(4-hydroxybutyl)-3-methoxycyclopent-2-en-1-one?
(5R)-5-(4-hydroxybutyl)-3-methoxycyclopent-2-en-1-one has a molecular weight of 184.23 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(4-hydroxybutyl)-3-methoxycyclopent-2-en-1-one is sourced from PubChem (CID 135004148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).