(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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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).