2,4-dimethoxy-3-methylidenepentane

C8H16O2 — CID 21225228

IUPAC2,4-dimethoxy-3-methylidenepentane
SMILESC=C(C(C)OC)C(C)OC
InChIInChI=1S/C8H16O2/c1-6(7(2)9-4)8(3)10-5/h7-8H,1H2,2-5H3
InChIKeyZRGBPYPNILBVHP-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.61
Rot. Bonds4

About 2,4-dimethoxy-3-methylidenepentane

2,4-dimethoxy-3-methylidenepentane (PubChem CID 21225228) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 2,4-dimethoxy-3-methylidenepentane.

Molecular Properties

Compound Name2,4-dimethoxy-3-methylidenepentane
PubChem CID21225228
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name2,4-dimethoxy-3-methylidenepentane
SMILESC=C(C(C)OC)C(C)OC
InChIInChI=1S/C8H16O2/c1-6(7(2)9-4)8(3)10-5/h7-8H,1H2,2-5H3
InChIKeyZRGBPYPNILBVHP-UHFFFAOYSA-N
XLogP1.61
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,4-dimethoxy-3-methylidenepentane 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 2,4-dimethoxy-3-methylidenepentane?
The IUPAC name of 2,4-dimethoxy-3-methylidenepentane (CID 21225228) is 2,4-dimethoxy-3-methylidenepentane.
What is the SMILES notation for 2,4-dimethoxy-3-methylidenepentane?
The canonical SMILES for 2,4-dimethoxy-3-methylidenepentane is C=C(C(C)OC)C(C)OC.
What is the InChIKey of 2,4-dimethoxy-3-methylidenepentane?
The InChIKey is ZRGBPYPNILBVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-6(7(2)9-4)8(3)10-5/h7-8H,1H2,2-5H3.
What are the key properties of 2,4-dimethoxy-3-methylidenepentane?
2,4-dimethoxy-3-methylidenepentane has a molecular weight of 144.21 g/mol, XLogP of 1.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-3-methylidenepentane is sourced from PubChem (CID 21225228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).