2-methyl-2-[(1E,3E)-5-methylhexa-1,3-dienyl]-1,3-dioxolane

C11H18O2 — CID 13265400

IUPAC2-methyl-2-[(1E,3E)-5-methylhexa-1,3-dienyl]-1,3-dioxolane
SMILESCC(C)/C=C/C=C/C1(C)OCCO1
InChIInChI=1S/C11H18O2/c1-10(2)6-4-5-7-11(3)12-8-9-13-11/h4-7,10H,8-9H2,1-3H3/b6-4+,7-5+
InChIKeyRUWMDYZNGPLVOY-YDFGWWAZSA-N
MW182.26 g/mol
LogP2.52
Rot. Bonds3

About 2-methyl-2-[(1E,3E)-5-methylhexa-1,3-dienyl]-1,3-dioxolane

2-methyl-2-[(1E,3E)-5-methylhexa-1,3-dienyl]-1,3-dioxolane (PubChem CID 13265400) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 2-methyl-2-[(1E,3E)-5-methylhexa-1,3-dienyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-methyl-2-[(1E,3E)-5-methylhexa-1,3-dienyl]-1,3-dioxolane
PubChem CID13265400
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name2-methyl-2-[(1E,3E)-5-methylhexa-1,3-dienyl]-1,3-dioxolane
SMILESCC(C)/C=C/C=C/C1(C)OCCO1
InChIInChI=1S/C11H18O2/c1-10(2)6-4-5-7-11(3)12-8-9-13-11/h4-7,10H,8-9H2,1-3H3/b6-4+,7-5+
InChIKeyRUWMDYZNGPLVOY-YDFGWWAZSA-N
XLogP2.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methyl-2-[(1E,3E)-5-methylhexa-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 2-methyl-2-[(1E,3E)-5-methylhexa-1,3-dienyl]-1,3-dioxolane?
The IUPAC name of 2-methyl-2-[(1E,3E)-5-methylhexa-1,3-dienyl]-1,3-dioxolane (CID 13265400) is 2-methyl-2-[(1E,3E)-5-methylhexa-1,3-dienyl]-1,3-dioxolane.
What is the SMILES notation for 2-methyl-2-[(1E,3E)-5-methylhexa-1,3-dienyl]-1,3-dioxolane?
The canonical SMILES for 2-methyl-2-[(1E,3E)-5-methylhexa-1,3-dienyl]-1,3-dioxolane is CC(C)/C=C/C=C/C1(C)OCCO1.
What is the InChIKey of 2-methyl-2-[(1E,3E)-5-methylhexa-1,3-dienyl]-1,3-dioxolane?
The InChIKey is RUWMDYZNGPLVOY-YDFGWWAZSA-N. The full InChI is InChI=1S/C11H18O2/c1-10(2)6-4-5-7-11(3)12-8-9-13-11/h4-7,10H,8-9H2,1-3H3/b6-4+,7-5+.
What are the key properties of 2-methyl-2-[(1E,3E)-5-methylhexa-1,3-dienyl]-1,3-dioxolane?
2-methyl-2-[(1E,3E)-5-methylhexa-1,3-dienyl]-1,3-dioxolane has a molecular weight of 182.26 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(1E,3E)-5-methylhexa-1,3-dienyl]-1,3-dioxolane is sourced from PubChem (CID 13265400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).