2-(2-prop-2-enyloctadecoxymethyl)oxirane

C24H46O2 — CID 139677979

IUPAC2-(2-prop-2-enyloctadecoxymethyl)oxirane
SMILESC=CCC(CCCCCCCCCCCCCCCC)COCC1CO1
InChIInChI=1S/C24H46O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19-23(18-4-2)20-25-21-24-22-26-24/h4,23-24H,2-3,5-22H2,1H3
InChIKeyGVAGPMSPYCWVEJ-UHFFFAOYSA-N
MW366.63 g/mol
LogP7.47
Rot. Bonds21

About 2-(2-prop-2-enyloctadecoxymethyl)oxirane

2-(2-prop-2-enyloctadecoxymethyl)oxirane (PubChem CID 139677979) has the molecular formula C24H46O2 and a molecular weight of 366.63 g/mol. Its IUPAC name is 2-(2-prop-2-enyloctadecoxymethyl)oxirane.

Molecular Properties

Compound Name2-(2-prop-2-enyloctadecoxymethyl)oxirane
PubChem CID139677979
Molecular FormulaC24H46O2
Molecular Weight366.63 g/mol
Exact Mass366.35
IUPAC Name2-(2-prop-2-enyloctadecoxymethyl)oxirane
SMILESC=CCC(CCCCCCCCCCCCCCCC)COCC1CO1
InChIInChI=1S/C24H46O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19-23(18-4-2)20-25-21-24-22-26-24/h4,23-24H,2-3,5-22H2,1H3
InChIKeyGVAGPMSPYCWVEJ-UHFFFAOYSA-N
XLogP7.47
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds21
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.63
LogP ≤ 57.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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'}

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Related Compounds

(7R,8S)-cis-7,8-epoxy-2-methyloctadec-17-ene
CID 56936246
cis-7,8-Epoxy-2-methyloctadec-17-ene
CID 76463834
2,6,14-Trimethyl-6,7-epoxy-10-methylene-9-(3-methylpent-4-enyl)-pentadecane
CID 42608271
(7s,8r)-cis-7,8-Epoxy-2-methyloctadec-17-ene
CID 90787363
2-((z)-Oct-2'-enyl)-3-nonyl oxirane
CID 129849218
cis-7,8-epoxy-2-methyl-E11-octadecene
CID 91749866
cis-7,8-epoxy-2-methyl-E12-octadecene
CID 91749867
cis-7,8-epoxy-2-methyl-E13-octadecene
CID 91749868
cis-7,8-epoxy-2-methyl-E14-octadecene
CID 91749869
cis-7,8-epoxy-2-methyl-E15-octadecene
CID 91749870
cis-7,8-epoxy-2-methyl-E16-octadecene
CID 91749871
cis-7,8-epoxy-2-methyl-Z11-octadecene
CID 91749875

Frequently Asked Questions

What is the IUPAC name of 2-(2-prop-2-enyloctadecoxymethyl)oxirane?
The IUPAC name of 2-(2-prop-2-enyloctadecoxymethyl)oxirane (CID 139677979) is 2-(2-prop-2-enyloctadecoxymethyl)oxirane.
What is the SMILES notation for 2-(2-prop-2-enyloctadecoxymethyl)oxirane?
The canonical SMILES for 2-(2-prop-2-enyloctadecoxymethyl)oxirane is C=CCC(CCCCCCCCCCCCCCCC)COCC1CO1.
What is the InChIKey of 2-(2-prop-2-enyloctadecoxymethyl)oxirane?
The InChIKey is GVAGPMSPYCWVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19-23(18-4-2)20-25-21-24-22-26-24/h4,23-24H,2-3,5-22H2,1H3.
What are the key properties of 2-(2-prop-2-enyloctadecoxymethyl)oxirane?
2-(2-prop-2-enyloctadecoxymethyl)oxirane has a molecular weight of 366.63 g/mol, XLogP of 7.47, 21 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-prop-2-enyloctadecoxymethyl)oxirane is sourced from PubChem (CID 139677979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).