4-(chloromethyl)-2-methyl-2-[(1E,3E)-penta-1,3-dienyl]-1,3-dioxolane

C10H15ClO2 — CID 15695813

IUPAC4-(chloromethyl)-2-methyl-2-[(1E,3E)-penta-1,3-dienyl]-1,3-dioxolane
SMILESC/C=C/C=C/C1(C)OCC(CCl)O1
InChIInChI=1S/C10H15ClO2/c1-3-4-5-6-10(2)12-8-9(7-11)13-10/h3-6,9H,7-8H2,1-2H3/b4-3+,6-5+
InChIKeyIHZCVCARPKNPNY-VNKDHWASSA-N
MW202.68 g/mol
LogP2.49
Rot. Bonds3

About 4-(chloromethyl)-2-methyl-2-[(1E,3E)-penta-1,3-dienyl]-1,3-dioxolane

4-(chloromethyl)-2-methyl-2-[(1E,3E)-penta-1,3-dienyl]-1,3-dioxolane (PubChem CID 15695813) has the molecular formula C10H15ClO2 and a molecular weight of 202.68 g/mol. Its IUPAC name is 4-(chloromethyl)-2-methyl-2-[(1E,3E)-penta-1,3-dienyl]-1,3-dioxolane.

Molecular Properties

Compound Name4-(chloromethyl)-2-methyl-2-[(1E,3E)-penta-1,3-dienyl]-1,3-dioxolane
PubChem CID15695813
Molecular FormulaC10H15ClO2
Molecular Weight202.68 g/mol
Exact Mass202.08
IUPAC Name4-(chloromethyl)-2-methyl-2-[(1E,3E)-penta-1,3-dienyl]-1,3-dioxolane
SMILESC/C=C/C=C/C1(C)OCC(CCl)O1
InChIInChI=1S/C10H15ClO2/c1-3-4-5-6-10(2)12-8-9(7-11)13-10/h3-6,9H,7-8H2,1-2H3/b4-3+,6-5+
InChIKeyIHZCVCARPKNPNY-VNKDHWASSA-N
XLogP2.49
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.68
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(chloromethyl)-2-methyl-2-[(1E,3E)-penta-1,3-dienyl]-1,3-dioxolane 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-(chloromethyl)-2-methyl-2-[(1E,3E)-penta-1,3-dienyl]-1,3-dioxolane?
The IUPAC name of 4-(chloromethyl)-2-methyl-2-[(1E,3E)-penta-1,3-dienyl]-1,3-dioxolane (CID 15695813) is 4-(chloromethyl)-2-methyl-2-[(1E,3E)-penta-1,3-dienyl]-1,3-dioxolane.
What is the SMILES notation for 4-(chloromethyl)-2-methyl-2-[(1E,3E)-penta-1,3-dienyl]-1,3-dioxolane?
The canonical SMILES for 4-(chloromethyl)-2-methyl-2-[(1E,3E)-penta-1,3-dienyl]-1,3-dioxolane is C/C=C/C=C/C1(C)OCC(CCl)O1.
What is the InChIKey of 4-(chloromethyl)-2-methyl-2-[(1E,3E)-penta-1,3-dienyl]-1,3-dioxolane?
The InChIKey is IHZCVCARPKNPNY-VNKDHWASSA-N. The full InChI is InChI=1S/C10H15ClO2/c1-3-4-5-6-10(2)12-8-9(7-11)13-10/h3-6,9H,7-8H2,1-2H3/b4-3+,6-5+.
What are the key properties of 4-(chloromethyl)-2-methyl-2-[(1E,3E)-penta-1,3-dienyl]-1,3-dioxolane?
4-(chloromethyl)-2-methyl-2-[(1E,3E)-penta-1,3-dienyl]-1,3-dioxolane has a molecular weight of 202.68 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-methyl-2-[(1E,3E)-penta-1,3-dienyl]-1,3-dioxolane is sourced from PubChem (CID 15695813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).