3-heptan-2-yl-5-prop-2-enyldioxolane

C13H24O2 — CID 155155802

IUPAC3-heptan-2-yl-5-prop-2-enyldioxolane
SMILESC=CCC1CC(C(C)CCCCC)OO1
InChIInChI=1S/C13H24O2/c1-4-6-7-9-11(3)13-10-12(8-5-2)14-15-13/h5,11-13H,2,4,6-10H2,1,3H3
InChIKeyFEMJTLJWBJKJDO-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.87
Rot. Bonds7

About 3-heptan-2-yl-5-prop-2-enyldioxolane

3-heptan-2-yl-5-prop-2-enyldioxolane (PubChem CID 155155802) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 3-heptan-2-yl-5-prop-2-enyldioxolane.

Molecular Properties

Compound Name3-heptan-2-yl-5-prop-2-enyldioxolane
PubChem CID155155802
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name3-heptan-2-yl-5-prop-2-enyldioxolane
SMILESC=CCC1CC(C(C)CCCCC)OO1
InChIInChI=1S/C13H24O2/c1-4-6-7-9-11(3)13-10-12(8-5-2)14-15-13/h5,11-13H,2,4,6-10H2,1,3H3
InChIKeyFEMJTLJWBJKJDO-UHFFFAOYSA-N
XLogP3.87
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.87
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'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-heptan-2-yl-5-prop-2-enyldioxolane?
The IUPAC name of 3-heptan-2-yl-5-prop-2-enyldioxolane (CID 155155802) is 3-heptan-2-yl-5-prop-2-enyldioxolane.
What is the SMILES notation for 3-heptan-2-yl-5-prop-2-enyldioxolane?
The canonical SMILES for 3-heptan-2-yl-5-prop-2-enyldioxolane is C=CCC1CC(C(C)CCCCC)OO1.
What is the InChIKey of 3-heptan-2-yl-5-prop-2-enyldioxolane?
The InChIKey is FEMJTLJWBJKJDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-4-6-7-9-11(3)13-10-12(8-5-2)14-15-13/h5,11-13H,2,4,6-10H2,1,3H3.
What are the key properties of 3-heptan-2-yl-5-prop-2-enyldioxolane?
3-heptan-2-yl-5-prop-2-enyldioxolane has a molecular weight of 212.33 g/mol, XLogP of 3.87, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-heptan-2-yl-5-prop-2-enyldioxolane is sourced from PubChem (CID 155155802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).