3-but-3-enyl-5-butoxy-2,2-dimethyloxolane

C14H26O2 — CID 11390508

IUPAC3-but-3-enyl-5-butoxy-2,2-dimethyloxolane
SMILESC=CCCC1CC(OCCCC)OC1(C)C
InChIInChI=1S/C14H26O2/c1-5-7-9-12-11-13(15-10-8-6-2)16-14(12,3)4/h5,12-13H,1,6-11H2,2-4H3
InChIKeyIQVCYVVGLPSVOM-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.91
Rot. Bonds7

About 3-but-3-enyl-5-butoxy-2,2-dimethyloxolane

3-but-3-enyl-5-butoxy-2,2-dimethyloxolane (PubChem CID 11390508) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 3-but-3-enyl-5-butoxy-2,2-dimethyloxolane.

Molecular Properties

Compound Name3-but-3-enyl-5-butoxy-2,2-dimethyloxolane
PubChem CID11390508
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name3-but-3-enyl-5-butoxy-2,2-dimethyloxolane
SMILESC=CCCC1CC(OCCCC)OC1(C)C
InChIInChI=1S/C14H26O2/c1-5-7-9-12-11-13(15-10-8-6-2)16-14(12,3)4/h5,12-13H,1,6-11H2,2-4H3
InChIKeyIQVCYVVGLPSVOM-UHFFFAOYSA-N
XLogP3.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 3-but-3-enyl-5-butoxy-2,2-dimethyloxolane?
The IUPAC name of 3-but-3-enyl-5-butoxy-2,2-dimethyloxolane (CID 11390508) is 3-but-3-enyl-5-butoxy-2,2-dimethyloxolane.
What is the SMILES notation for 3-but-3-enyl-5-butoxy-2,2-dimethyloxolane?
The canonical SMILES for 3-but-3-enyl-5-butoxy-2,2-dimethyloxolane is C=CCCC1CC(OCCCC)OC1(C)C.
What is the InChIKey of 3-but-3-enyl-5-butoxy-2,2-dimethyloxolane?
The InChIKey is IQVCYVVGLPSVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-5-7-9-12-11-13(15-10-8-6-2)16-14(12,3)4/h5,12-13H,1,6-11H2,2-4H3.
What are the key properties of 3-but-3-enyl-5-butoxy-2,2-dimethyloxolane?
3-but-3-enyl-5-butoxy-2,2-dimethyloxolane has a molecular weight of 226.36 g/mol, XLogP of 3.91, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-but-3-enyl-5-butoxy-2,2-dimethyloxolane is sourced from PubChem (CID 11390508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).