(2S)-2-ethenyl-2-hexadecyloxirane

C20H38O — CID 11358364

IUPAC(2S)-2-ethenyl-2-hexadecyloxirane
SMILESC=C[C@@]1(CCCCCCCCCCCCCCCC)CO1
InChIInChI=1S/C20H38O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(4-2)19-21-20/h4H,2-3,5-19H2,1H3/t20-/m1/s1
InChIKeyUKKAKEDCFPWEOR-HXUWFJFHSA-N
MW294.52 g/mol
LogP6.81
Rot. Bonds16

About (2S)-2-ethenyl-2-hexadecyloxirane

(2S)-2-ethenyl-2-hexadecyloxirane (PubChem CID 11358364) has the molecular formula C20H38O and a molecular weight of 294.52 g/mol. Its IUPAC name is (2S)-2-ethenyl-2-hexadecyloxirane.

Molecular Properties

Compound Name(2S)-2-ethenyl-2-hexadecyloxirane
PubChem CID11358364
Molecular FormulaC20H38O
Molecular Weight294.52 g/mol
Exact Mass294.29
IUPAC Name(2S)-2-ethenyl-2-hexadecyloxirane
SMILESC=C[C@@]1(CCCCCCCCCCCCCCCC)CO1
InChIInChI=1S/C20H38O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(4-2)19-21-20/h4H,2-3,5-19H2,1H3/t20-/m1/s1
InChIKeyUKKAKEDCFPWEOR-HXUWFJFHSA-N
XLogP6.81
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.52
LogP ≤ 56.81
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)-2-ethenyl-2-hexyloxirane
CID 154718439
(2R)-2-octyloxirane-2-carbaldehyde
CID 135065142
2-hexadecyl-2-tetradecyloxirane
CID 71421731
2-icosyl-2-methyloxirane
CID 87753382
2-methyl-2-nonadecyloxirane
CID 87754306
2-hexadecyl-2-methyloxirane
CID 87444144
2-octyloxiran-2-amine
CID 87096100
3-methyl-3-octyloxetane
CID 162658167
2-fluoro-2-hexyloxirane
CID 21452195
2-hexyl-2-propyloxirane
CID 139691135
2-methyl-2-pentyloxirane
CID 559073
2-hexyl-2-propan-2-yloxirane
CID 170634762

Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethenyl-2-hexadecyloxirane?
The IUPAC name of (2S)-2-ethenyl-2-hexadecyloxirane (CID 11358364) is (2S)-2-ethenyl-2-hexadecyloxirane.
What is the SMILES notation for (2S)-2-ethenyl-2-hexadecyloxirane?
The canonical SMILES for (2S)-2-ethenyl-2-hexadecyloxirane is C=C[C@@]1(CCCCCCCCCCCCCCCC)CO1.
What is the InChIKey of (2S)-2-ethenyl-2-hexadecyloxirane?
The InChIKey is UKKAKEDCFPWEOR-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H38O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(4-2)19-21-20/h4H,2-3,5-19H2,1H3/t20-/m1/s1.
What are the key properties of (2S)-2-ethenyl-2-hexadecyloxirane?
(2S)-2-ethenyl-2-hexadecyloxirane has a molecular weight of 294.52 g/mol, XLogP of 6.81, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethenyl-2-hexadecyloxirane is sourced from PubChem (CID 11358364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).