4-(1,3-dimethoxypropan-2-ylidene)heptane

C12H24O2 — CID 57264442

IUPAC4-(1,3-dimethoxypropan-2-ylidene)heptane
SMILESCCCC(CCC)=C(COC)COC
InChIInChI=1S/C12H24O2/c1-5-7-11(8-6-2)12(9-13-3)10-14-4/h5-10H2,1-4H3
InChIKeyQCKASOWJTLQTOU-UHFFFAOYSA-N
MW200.32 g/mol
LogP3.18
Rot. Bonds8

About 4-(1,3-dimethoxypropan-2-ylidene)heptane

4-(1,3-dimethoxypropan-2-ylidene)heptane (PubChem CID 57264442) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 4-(1,3-dimethoxypropan-2-ylidene)heptane.

Molecular Properties

Compound Name4-(1,3-dimethoxypropan-2-ylidene)heptane
PubChem CID57264442
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name4-(1,3-dimethoxypropan-2-ylidene)heptane
SMILESCCCC(CCC)=C(COC)COC
InChIInChI=1S/C12H24O2/c1-5-7-11(8-6-2)12(9-13-3)10-14-4/h5-10H2,1-4H3
InChIKeyQCKASOWJTLQTOU-UHFFFAOYSA-N
XLogP3.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(1,3-dimethoxypropan-2-ylidene)heptane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dimethoxypropan-2-ylidene)heptane?
The IUPAC name of 4-(1,3-dimethoxypropan-2-ylidene)heptane (CID 57264442) is 4-(1,3-dimethoxypropan-2-ylidene)heptane.
What is the SMILES notation for 4-(1,3-dimethoxypropan-2-ylidene)heptane?
The canonical SMILES for 4-(1,3-dimethoxypropan-2-ylidene)heptane is CCCC(CCC)=C(COC)COC.
What is the InChIKey of 4-(1,3-dimethoxypropan-2-ylidene)heptane?
The InChIKey is QCKASOWJTLQTOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-5-7-11(8-6-2)12(9-13-3)10-14-4/h5-10H2,1-4H3.
What are the key properties of 4-(1,3-dimethoxypropan-2-ylidene)heptane?
4-(1,3-dimethoxypropan-2-ylidene)heptane has a molecular weight of 200.32 g/mol, XLogP of 3.18, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dimethoxypropan-2-ylidene)heptane is sourced from PubChem (CID 57264442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).