2-(2,6-dimethylhept-5-enyl)-4-ethenyl-1,3-dioxolane

C14H24O2 — CID 71471491

IUPAC2-(2,6-dimethylhept-5-enyl)-4-ethenyl-1,3-dioxolane
SMILESC=CC1COC(CC(C)CCC=C(C)C)O1
InChIInChI=1S/C14H24O2/c1-5-13-10-15-14(16-13)9-12(4)8-6-7-11(2)3/h5,7,12-14H,1,6,8-10H2,2-4H3
InChIKeyDCFYZPOLIYJLCN-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.69
Rot. Bonds6

About 2-(2,6-dimethylhept-5-enyl)-4-ethenyl-1,3-dioxolane

2-(2,6-dimethylhept-5-enyl)-4-ethenyl-1,3-dioxolane (PubChem CID 71471491) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 2-(2,6-dimethylhept-5-enyl)-4-ethenyl-1,3-dioxolane.

Molecular Properties

Compound Name2-(2,6-dimethylhept-5-enyl)-4-ethenyl-1,3-dioxolane
PubChem CID71471491
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name2-(2,6-dimethylhept-5-enyl)-4-ethenyl-1,3-dioxolane
SMILESC=CC1COC(CC(C)CCC=C(C)C)O1
InChIInChI=1S/C14H24O2/c1-5-13-10-15-14(16-13)9-12(4)8-6-7-11(2)3/h5,7,12-14H,1,6,8-10H2,2-4H3
InChIKeyDCFYZPOLIYJLCN-UHFFFAOYSA-N
XLogP3.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylhept-5-enyl)-4-ethenyl-1,3-dioxolane?
The IUPAC name of 2-(2,6-dimethylhept-5-enyl)-4-ethenyl-1,3-dioxolane (CID 71471491) is 2-(2,6-dimethylhept-5-enyl)-4-ethenyl-1,3-dioxolane.
What is the SMILES notation for 2-(2,6-dimethylhept-5-enyl)-4-ethenyl-1,3-dioxolane?
The canonical SMILES for 2-(2,6-dimethylhept-5-enyl)-4-ethenyl-1,3-dioxolane is C=CC1COC(CC(C)CCC=C(C)C)O1.
What is the InChIKey of 2-(2,6-dimethylhept-5-enyl)-4-ethenyl-1,3-dioxolane?
The InChIKey is DCFYZPOLIYJLCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-5-13-10-15-14(16-13)9-12(4)8-6-7-11(2)3/h5,7,12-14H,1,6,8-10H2,2-4H3.
What are the key properties of 2-(2,6-dimethylhept-5-enyl)-4-ethenyl-1,3-dioxolane?
2-(2,6-dimethylhept-5-enyl)-4-ethenyl-1,3-dioxolane has a molecular weight of 224.34 g/mol, XLogP of 3.69, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylhept-5-enyl)-4-ethenyl-1,3-dioxolane is sourced from PubChem (CID 71471491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).