2-pentadec-8-enyl-3-(phenoxymethyl)oxirane

C24H38O2 — CID 54155804

IUPAC2-pentadec-8-enyl-3-(phenoxymethyl)oxirane
SMILESCCCCCCC=CCCCCCCCC1OC1COc1ccccc1
InChIInChI=1S/C24H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-23-24(26-23)21-25-22-18-15-14-16-19-22/h7-8,14-16,18-19,23-24H,2-6,9-13,17,20-21H2,1H3
InChIKeyOKYNKOMGMCESOL-UHFFFAOYSA-N
MW358.57 g/mol
LogP7.09
Rot. Bonds16

About 2-pentadec-8-enyl-3-(phenoxymethyl)oxirane

2-pentadec-8-enyl-3-(phenoxymethyl)oxirane (PubChem CID 54155804) has the molecular formula C24H38O2 and a molecular weight of 358.57 g/mol. Its IUPAC name is 2-pentadec-8-enyl-3-(phenoxymethyl)oxirane.

Molecular Properties

Compound Name2-pentadec-8-enyl-3-(phenoxymethyl)oxirane
PubChem CID54155804
Molecular FormulaC24H38O2
Molecular Weight358.57 g/mol
Exact Mass358.29
IUPAC Name2-pentadec-8-enyl-3-(phenoxymethyl)oxirane
SMILESCCCCCCC=CCCCCCCCC1OC1COc1ccccc1
InChIInChI=1S/C24H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-23-24(26-23)21-25-22-18-15-14-16-19-22/h7-8,14-16,18-19,23-24H,2-6,9-13,17,20-21H2,1H3
InChIKeyOKYNKOMGMCESOL-UHFFFAOYSA-N
XLogP7.09
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.57
LogP ≤ 57.09
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

CID 70492452
CID 70492452
(2R,3R)-2-[(Z)-dec-2-enyl]-3-pentyloxirane
CID 100991956
(2R,3R)-2-[(Z)-pentadec-2-enyl]-3-pentyloxirane
CID 100991951
(Z)-octadec-9-enoic acid;2-(phenoxymethyl)oxirane
CID 157086332
(Z)-13-[(2R,3R)-3-pentyloxiran-2-yl]tridec-8-enoic acid
CID 35028451
(4-hexylcyclohexyl)methoxybenzene
CID 57019623
(Z)-13-[(2R,3S)-3-pentyloxiran-2-yl]tridec-5-enoic acid
CID 35026353
3-undec-1-enoxypropoxybenzene
CID 154368140
(3-hexyloxiran-2-yl)methyl formate
CID 101414177
13-[(2S,3R)-3-pentyloxiran-2-yl]tridec-2-enoic acid
CID 87776221
2-[3-[(3-butyloxiran-2-yl)methoxy]phenyl]-5-octoxypyrimidine
CID 19386208
(2S,3R)-2-nonyl-3-octyloxirane
CID 169439821

Frequently Asked Questions

What is the IUPAC name of 2-pentadec-8-enyl-3-(phenoxymethyl)oxirane?
The IUPAC name of 2-pentadec-8-enyl-3-(phenoxymethyl)oxirane (CID 54155804) is 2-pentadec-8-enyl-3-(phenoxymethyl)oxirane.
What is the SMILES notation for 2-pentadec-8-enyl-3-(phenoxymethyl)oxirane?
The canonical SMILES for 2-pentadec-8-enyl-3-(phenoxymethyl)oxirane is CCCCCCC=CCCCCCCCC1OC1COc1ccccc1.
What is the InChIKey of 2-pentadec-8-enyl-3-(phenoxymethyl)oxirane?
The InChIKey is OKYNKOMGMCESOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-23-24(26-23)21-25-22-18-15-14-16-19-22/h7-8,14-16,18-19,23-24H,2-6,9-13,17,20-21H2,1H3.
What are the key properties of 2-pentadec-8-enyl-3-(phenoxymethyl)oxirane?
2-pentadec-8-enyl-3-(phenoxymethyl)oxirane has a molecular weight of 358.57 g/mol, XLogP of 7.09, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentadec-8-enyl-3-(phenoxymethyl)oxirane is sourced from PubChem (CID 54155804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).