1-ethenylcyclohexene;2-tetradecyloxirane

C24H44O — CID 158468491

IUPAC1-ethenylcyclohexene;2-tetradecyloxirane
SMILESC=CC1=CCCCC1.CCCCCCCCCCCCCCC1CO1
InChIInChI=1S/C16H32O.C8H12/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-15-17-16;1-2-8-6-4-3-5-7-8/h16H,2-15H2,1H3;2,6H,1,3-5,7H2
InChIKeyHGBCTMRLUSTFJF-UHFFFAOYSA-N
MW348.62 g/mol
LogP8.15
Rot. Bonds14

About 1-ethenylcyclohexene;2-tetradecyloxirane

1-ethenylcyclohexene;2-tetradecyloxirane (PubChem CID 158468491) has the molecular formula C24H44O and a molecular weight of 348.62 g/mol. Its IUPAC name is 1-ethenylcyclohexene;2-tetradecyloxirane.

Molecular Properties

Compound Name1-ethenylcyclohexene;2-tetradecyloxirane
PubChem CID158468491
Molecular FormulaC24H44O
Molecular Weight348.62 g/mol
Exact Mass348.34
IUPAC Name1-ethenylcyclohexene;2-tetradecyloxirane
SMILESC=CC1=CCCCC1.CCCCCCCCCCCCCCC1CO1
InChIInChI=1S/C16H32O.C8H12/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-15-17-16;1-2-8-6-4-3-5-7-8/h16H,2-15H2,1H3;2,6H,1,3-5,7H2
InChIKeyHGBCTMRLUSTFJF-UHFFFAOYSA-N
XLogP8.15
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.62
LogP ≤ 58.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethene;2-hexadecyloxirane
CID 174880180
2-hexadecyloxirane;tetradecane
CID 174899291
(2R)-2-octadecyloxirane
CID 98043533
2-tetradecyloxirane
CID 23741
2-tetratetracontyloxirane
CID 102093754
(2S)-2-pentadecyloxirane
CID 10706151
2-hexatetracontyloxirane
CID 102093756
2-hexadecyloxirane;2-hexyloxirane
CID 161227178
1-ethenylcyclooctene
CID 54012738
(2R)-2-pentyloxirane
CID 11147691
2-hexadecyloxirane;oxirane
CID 175319175
1-ethenylcyclohexene;methylidenecyclopropane
CID 159160472

Frequently Asked Questions

What is the IUPAC name of 1-ethenylcyclohexene;2-tetradecyloxirane?
The IUPAC name of 1-ethenylcyclohexene;2-tetradecyloxirane (CID 158468491) is 1-ethenylcyclohexene;2-tetradecyloxirane.
What is the SMILES notation for 1-ethenylcyclohexene;2-tetradecyloxirane?
The canonical SMILES for 1-ethenylcyclohexene;2-tetradecyloxirane is C=CC1=CCCCC1.CCCCCCCCCCCCCCC1CO1.
What is the InChIKey of 1-ethenylcyclohexene;2-tetradecyloxirane?
The InChIKey is HGBCTMRLUSTFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O.C8H12/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-15-17-16;1-2-8-6-4-3-5-7-8/h16H,2-15H2,1H3;2,6H,1,3-5,7H2.
What are the key properties of 1-ethenylcyclohexene;2-tetradecyloxirane?
1-ethenylcyclohexene;2-tetradecyloxirane has a molecular weight of 348.62 g/mol, XLogP of 8.15, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenylcyclohexene;2-tetradecyloxirane is sourced from PubChem (CID 158468491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).