2-decyl-3-(5-methylhex-5-enyl)oxirane

C19H36O — CID 18466383

IUPAC2-decyl-3-(5-methylhex-5-enyl)oxirane
SMILESC=C(C)CCCCC1OC1CCCCCCCCCC
InChIInChI=1S/C19H36O/c1-4-5-6-7-8-9-10-11-15-18-19(20-18)16-13-12-14-17(2)3/h18-19H,2,4-16H2,1,3H3
InChIKeyGGFHLGTYSJQDFL-UHFFFAOYSA-N
MW280.50 g/mol
LogP6.42
Rot. Bonds14

About 2-decyl-3-(5-methylhex-5-enyl)oxirane

2-decyl-3-(5-methylhex-5-enyl)oxirane (PubChem CID 18466383) has the molecular formula C19H36O and a molecular weight of 280.50 g/mol. Its IUPAC name is 2-decyl-3-(5-methylhex-5-enyl)oxirane.

Molecular Properties

Compound Name2-decyl-3-(5-methylhex-5-enyl)oxirane
PubChem CID18466383
Molecular FormulaC19H36O
Molecular Weight280.50 g/mol
Exact Mass280.28
IUPAC Name2-decyl-3-(5-methylhex-5-enyl)oxirane
SMILESC=C(C)CCCCC1OC1CCCCCCCCCC
InChIInChI=1S/C19H36O/c1-4-5-6-7-8-9-10-11-15-18-19(20-18)16-13-12-14-17(2)3/h18-19H,2,4-16H2,1,3H3
InChIKeyGGFHLGTYSJQDFL-UHFFFAOYSA-N
XLogP6.42
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.50
LogP ≤ 56.42
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 2-decyl-3-(5-methylhex-5-enyl)oxirane?
The IUPAC name of 2-decyl-3-(5-methylhex-5-enyl)oxirane (CID 18466383) is 2-decyl-3-(5-methylhex-5-enyl)oxirane.
What is the SMILES notation for 2-decyl-3-(5-methylhex-5-enyl)oxirane?
The canonical SMILES for 2-decyl-3-(5-methylhex-5-enyl)oxirane is C=C(C)CCCCC1OC1CCCCCCCCCC.
What is the InChIKey of 2-decyl-3-(5-methylhex-5-enyl)oxirane?
The InChIKey is GGFHLGTYSJQDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O/c1-4-5-6-7-8-9-10-11-15-18-19(20-18)16-13-12-14-17(2)3/h18-19H,2,4-16H2,1,3H3.
What are the key properties of 2-decyl-3-(5-methylhex-5-enyl)oxirane?
2-decyl-3-(5-methylhex-5-enyl)oxirane has a molecular weight of 280.50 g/mol, XLogP of 6.42, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-decyl-3-(5-methylhex-5-enyl)oxirane is sourced from PubChem (CID 18466383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).