2-[(E)-oct-1-enyl]oxolane

C12H22O — CID 15324104

IUPAC2-[(E)-oct-1-enyl]oxolane
SMILESCCCCCC/C=C/C1CCCO1
InChIInChI=1S/C12H22O/c1-2-3-4-5-6-7-9-12-10-8-11-13-12/h7,9,12H,2-6,8,10-11H2,1H3/b9-7+
InChIKeyWHFRQBPIHPCLNP-VQHVLOKHSA-N
MW182.31 g/mol
LogP3.69
Rot. Bonds6

About 2-[(E)-oct-1-enyl]oxolane

2-[(E)-oct-1-enyl]oxolane (PubChem CID 15324104) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 2-[(E)-oct-1-enyl]oxolane.

Molecular Properties

Compound Name2-[(E)-oct-1-enyl]oxolane
PubChem CID15324104
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name2-[(E)-oct-1-enyl]oxolane
SMILESCCCCCC/C=C/C1CCCO1
InChIInChI=1S/C12H22O/c1-2-3-4-5-6-7-9-12-10-8-11-13-12/h7,9,12H,2-6,8,10-11H2,1H3/b9-7+
InChIKeyWHFRQBPIHPCLNP-VQHVLOKHSA-N
XLogP3.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.69
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 2-[(E)-oct-1-enyl]oxolane?
The IUPAC name of 2-[(E)-oct-1-enyl]oxolane (CID 15324104) is 2-[(E)-oct-1-enyl]oxolane.
What is the SMILES notation for 2-[(E)-oct-1-enyl]oxolane?
The canonical SMILES for 2-[(E)-oct-1-enyl]oxolane is CCCCCC/C=C/C1CCCO1.
What is the InChIKey of 2-[(E)-oct-1-enyl]oxolane?
The InChIKey is WHFRQBPIHPCLNP-VQHVLOKHSA-N. The full InChI is InChI=1S/C12H22O/c1-2-3-4-5-6-7-9-12-10-8-11-13-12/h7,9,12H,2-6,8,10-11H2,1H3/b9-7+.
What are the key properties of 2-[(E)-oct-1-enyl]oxolane?
2-[(E)-oct-1-enyl]oxolane has a molecular weight of 182.31 g/mol, XLogP of 3.69, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-oct-1-enyl]oxolane is sourced from PubChem (CID 15324104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).