4-butyl-3-octyl-2-prop-2-enyloxolane

C19H36O — CID 15438011

IUPAC4-butyl-3-octyl-2-prop-2-enyloxolane
SMILESC=CCC1OCC(CCCC)C1CCCCCCCC
InChIInChI=1S/C19H36O/c1-4-7-9-10-11-12-15-18-17(14-8-5-2)16-20-19(18)13-6-3/h6,17-19H,3-5,7-16H2,1-2H3
InChIKeyOJENLIUONWXEMC-UHFFFAOYSA-N
MW280.50 g/mol
LogP6.13
Rot. Bonds12

About 4-butyl-3-octyl-2-prop-2-enyloxolane

4-butyl-3-octyl-2-prop-2-enyloxolane (PubChem CID 15438011) has the molecular formula C19H36O and a molecular weight of 280.50 g/mol. Its IUPAC name is 4-butyl-3-octyl-2-prop-2-enyloxolane.

Molecular Properties

Compound Name4-butyl-3-octyl-2-prop-2-enyloxolane
PubChem CID15438011
Molecular FormulaC19H36O
Molecular Weight280.50 g/mol
Exact Mass280.28
IUPAC Name4-butyl-3-octyl-2-prop-2-enyloxolane
SMILESC=CCC1OCC(CCCC)C1CCCCCCCC
InChIInChI=1S/C19H36O/c1-4-7-9-10-11-12-15-18-17(14-8-5-2)16-20-19(18)13-6-3/h6,17-19H,3-5,7-16H2,1-2H3
InChIKeyOJENLIUONWXEMC-UHFFFAOYSA-N
XLogP6.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.50
LogP ≤ 56.13
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-3-octyl-2-prop-2-enyloxolane?
The IUPAC name of 4-butyl-3-octyl-2-prop-2-enyloxolane (CID 15438011) is 4-butyl-3-octyl-2-prop-2-enyloxolane.
What is the SMILES notation for 4-butyl-3-octyl-2-prop-2-enyloxolane?
The canonical SMILES for 4-butyl-3-octyl-2-prop-2-enyloxolane is C=CCC1OCC(CCCC)C1CCCCCCCC.
What is the InChIKey of 4-butyl-3-octyl-2-prop-2-enyloxolane?
The InChIKey is OJENLIUONWXEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O/c1-4-7-9-10-11-12-15-18-17(14-8-5-2)16-20-19(18)13-6-3/h6,17-19H,3-5,7-16H2,1-2H3.
What are the key properties of 4-butyl-3-octyl-2-prop-2-enyloxolane?
4-butyl-3-octyl-2-prop-2-enyloxolane has a molecular weight of 280.50 g/mol, XLogP of 6.13, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-3-octyl-2-prop-2-enyloxolane is sourced from PubChem (CID 15438011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).