2-ethenyl-3-tetradec-5-enyloxirane

C18H32O — CID 175141614

IUPAC2-ethenyl-3-tetradec-5-enyloxirane
SMILESC=CC1OC1CCCCC=CCCCCCCCC
InChIInChI=1S/C18H32O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-18-17(4-2)19-18/h4,11-12,17-18H,2-3,5-10,13-16H2,1H3
InChIKeyLEYWPCJZNQTQKN-UHFFFAOYSA-N
MW264.45 g/mol
LogP5.81
Rot. Bonds13

About 2-ethenyl-3-tetradec-5-enyloxirane

2-ethenyl-3-tetradec-5-enyloxirane (PubChem CID 175141614) has the molecular formula C18H32O and a molecular weight of 264.45 g/mol. Its IUPAC name is 2-ethenyl-3-tetradec-5-enyloxirane.

Molecular Properties

Compound Name2-ethenyl-3-tetradec-5-enyloxirane
PubChem CID175141614
Molecular FormulaC18H32O
Molecular Weight264.45 g/mol
Exact Mass264.25
IUPAC Name2-ethenyl-3-tetradec-5-enyloxirane
SMILESC=CC1OC1CCCCC=CCCCCCCCC
InChIInChI=1S/C18H32O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-18-17(4-2)19-18/h4,11-12,17-18H,2-3,5-10,13-16H2,1H3
InChIKeyLEYWPCJZNQTQKN-UHFFFAOYSA-N
XLogP5.81
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.45
LogP ≤ 55.81
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'}

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Related Compounds

(2R,3R)-2-[(Z)-dec-2-enyl]-3-pentyloxirane
CID 100991956
(2R,3R)-2-[(Z)-pentadec-2-enyl]-3-pentyloxirane
CID 100991951
2-decyl-3-pent-4-enyloxirane
CID 57481003
(2S,3R)-2-non-8-enyl-3-[[(2S,3R)-3-pentyloxiran-2-yl]methyl]oxirane
CID 23428201
(2R,3R)-2-butyl-3-tetradeca-1,3,5-trienyloxirane
CID 54182229
2-pentadeca-10,12,14-trienyl-3-pentyloxirane
CID 90702602
(7E)-heptadeca-1,7-diene
CID 19050683
triaconta-1,19-diene
CID 54007897
pentacosa-1,9,15-triene
CID 90876289
tetradeca-1,8-diene
CID 90913546
pentacosa-1,16-diene
CID 57082437
(18Z)-heptacosa-1,18-diene
CID 14841085

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-3-tetradec-5-enyloxirane?
The IUPAC name of 2-ethenyl-3-tetradec-5-enyloxirane (CID 175141614) is 2-ethenyl-3-tetradec-5-enyloxirane.
What is the SMILES notation for 2-ethenyl-3-tetradec-5-enyloxirane?
The canonical SMILES for 2-ethenyl-3-tetradec-5-enyloxirane is C=CC1OC1CCCCC=CCCCCCCCC.
What is the InChIKey of 2-ethenyl-3-tetradec-5-enyloxirane?
The InChIKey is LEYWPCJZNQTQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-18-17(4-2)19-18/h4,11-12,17-18H,2-3,5-10,13-16H2,1H3.
What are the key properties of 2-ethenyl-3-tetradec-5-enyloxirane?
2-ethenyl-3-tetradec-5-enyloxirane has a molecular weight of 264.45 g/mol, XLogP of 5.81, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-3-tetradec-5-enyloxirane is sourced from PubChem (CID 175141614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).