2-decyl-3-pent-4-enyloxirane

C17H32O — CID 57481003

IUPAC2-decyl-3-pent-4-enyloxirane
SMILESC=CCCCC1OC1CCCCCCCCCC
InChIInChI=1S/C17H32O/c1-3-5-7-8-9-10-11-13-15-17-16(18-17)14-12-6-4-2/h4,16-17H,2-3,5-15H2,1H3
InChIKeyNMLDQZFQADABDN-UHFFFAOYSA-N
MW252.44 g/mol
LogP5.64
Rot. Bonds13

About 2-decyl-3-pent-4-enyloxirane

2-decyl-3-pent-4-enyloxirane (PubChem CID 57481003) has the molecular formula C17H32O and a molecular weight of 252.44 g/mol. Its IUPAC name is 2-decyl-3-pent-4-enyloxirane.

Molecular Properties

Compound Name2-decyl-3-pent-4-enyloxirane
PubChem CID57481003
Molecular FormulaC17H32O
Molecular Weight252.44 g/mol
Exact Mass252.25
IUPAC Name2-decyl-3-pent-4-enyloxirane
SMILESC=CCCCC1OC1CCCCCCCCCC
InChIInChI=1S/C17H32O/c1-3-5-7-8-9-10-11-13-15-17-16(18-17)14-12-6-4-2/h4,16-17H,2-3,5-15H2,1H3
InChIKeyNMLDQZFQADABDN-UHFFFAOYSA-N
XLogP5.64
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.44
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 2-decyl-3-pent-4-enyloxirane 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

(2S,3R)-2-non-8-enyl-3-[[(2S,3R)-3-pentyloxiran-2-yl]methyl]oxirane
CID 23428201
(2S,3S)-2,3-dioctyloxirane
CID 71399050
(2S,3R)-2-nonyl-3-octyloxirane
CID 169439821
2-hexyl-3-pentadecyloxirane
CID 21447526
2-heptyl-3-octyloxirane
CID 57269313
2-butyl-3-undecyloxirane
CID 88518775
2-ethyl-3-henicosyloxirane
CID 20501424
8-(3-octyloxiran-2-yl)octanal
CID 87656072
2-ethenyl-3-tetradec-5-enyloxirane
CID 175141614
2-pentadeca-10,12,14-trienyl-3-pentyloxirane
CID 90702602
octadeca-1,17-diene;tetradec-1-ene
CID 173070986
non-1-ene
CID 141296734

Frequently Asked Questions

What is the IUPAC name of 2-decyl-3-pent-4-enyloxirane?
The IUPAC name of 2-decyl-3-pent-4-enyloxirane (CID 57481003) is 2-decyl-3-pent-4-enyloxirane.
What is the SMILES notation for 2-decyl-3-pent-4-enyloxirane?
The canonical SMILES for 2-decyl-3-pent-4-enyloxirane is C=CCCCC1OC1CCCCCCCCCC.
What is the InChIKey of 2-decyl-3-pent-4-enyloxirane?
The InChIKey is NMLDQZFQADABDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O/c1-3-5-7-8-9-10-11-13-15-17-16(18-17)14-12-6-4-2/h4,16-17H,2-3,5-15H2,1H3.
What are the key properties of 2-decyl-3-pent-4-enyloxirane?
2-decyl-3-pent-4-enyloxirane has a molecular weight of 252.44 g/mol, XLogP of 5.64, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-decyl-3-pent-4-enyloxirane is sourced from PubChem (CID 57481003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).