(2S,3R)-2-decyl-3-ethenyloxirane

C14H26O — CID 10608538

IUPAC(2S,3R)-2-decyl-3-ethenyloxirane
SMILESC=C[C@H]1O[C@H]1CCCCCCCCCC
InChIInChI=1S/C14H26O/c1-3-5-6-7-8-9-10-11-12-14-13(4-2)15-14/h4,13-14H,2-3,5-12H2,1H3/t13-,14+/m1/s1
InChIKeyPRWSUKLUPFZIHO-KGLIPLIRSA-N
MW210.36 g/mol
LogP4.47
Rot. Bonds10

About (2S,3R)-2-decyl-3-ethenyloxirane

(2S,3R)-2-decyl-3-ethenyloxirane (PubChem CID 10608538) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is (2S,3R)-2-decyl-3-ethenyloxirane.

Molecular Properties

Compound Name(2S,3R)-2-decyl-3-ethenyloxirane
PubChem CID10608538
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Name(2S,3R)-2-decyl-3-ethenyloxirane
SMILESC=C[C@H]1O[C@H]1CCCCCCCCCC
InChIInChI=1S/C14H26O/c1-3-5-6-7-8-9-10-11-12-14-13(4-2)15-14/h4,13-14H,2-3,5-12H2,1H3/t13-,14+/m1/s1
InChIKeyPRWSUKLUPFZIHO-KGLIPLIRSA-N
XLogP4.47
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 54.47
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

(7-Octenyl)oxirane
CID 543758
trans-11S,12S-Epoxy-6Z,9Z-heneicosadiene
CID 10494907
(R)-(+)-1,2-Epoxy-9-decene
CID 7018005
2-Dodec-11-enyloxirane
CID 5743593
(2R,3R)-2-dec-9-enyl-3-pentyloxirane
CID 162959353
2-hept-6-enyl-3-[(2Z,5E)-octa-2,5-dienyl]oxirane
CID 177644771
cis-9,19-epoxy-3Z,6Z-heptadecadiene
CID 56936240
(2R,3R)-2-hept-6-enyl-3-[(2Z,5Z)-octa-2,5-dienyl]oxirane
CID 162921617
(2R,3S)-2-hept-6-enyl-3-[(2Z,5Z)-octa-2,5-dienyl]oxirane
CID 163185194
(2R,3R)-2-hex-5-enyl-3-[(1E,7E)-nona-1,7-dien-3,5-diynyl]oxirane
CID 163189087
1-Nonen-3-ol, methyl ether
CID 12563924
4-Methoxy dec-1-ene
CID 11829889

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-decyl-3-ethenyloxirane?
The IUPAC name of (2S,3R)-2-decyl-3-ethenyloxirane (CID 10608538) is (2S,3R)-2-decyl-3-ethenyloxirane.
What is the SMILES notation for (2S,3R)-2-decyl-3-ethenyloxirane?
The canonical SMILES for (2S,3R)-2-decyl-3-ethenyloxirane is C=C[C@H]1O[C@H]1CCCCCCCCCC.
What is the InChIKey of (2S,3R)-2-decyl-3-ethenyloxirane?
The InChIKey is PRWSUKLUPFZIHO-KGLIPLIRSA-N. The full InChI is InChI=1S/C14H26O/c1-3-5-6-7-8-9-10-11-12-14-13(4-2)15-14/h4,13-14H,2-3,5-12H2,1H3/t13-,14+/m1/s1.
What are the key properties of (2S,3R)-2-decyl-3-ethenyloxirane?
(2S,3R)-2-decyl-3-ethenyloxirane has a molecular weight of 210.36 g/mol, XLogP of 4.47, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-decyl-3-ethenyloxirane is sourced from PubChem (CID 10608538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).