2-methyl-2-[(3E)-4-methylhexa-3,5-dienyl]-1,3-dioxolane

C11H18O2 — CID 14968919

IUPAC2-methyl-2-[(3E)-4-methylhexa-3,5-dienyl]-1,3-dioxolane
SMILESC=C/C(C)=C/CCC1(C)OCCO1
InChIInChI=1S/C11H18O2/c1-4-10(2)6-5-7-11(3)12-8-9-13-11/h4,6H,1,5,7-9H2,2-3H3/b10-6+
InChIKeyBUTNGXQIBFUGIE-UXBLZVDNSA-N
MW182.26 g/mol
LogP2.66
Rot. Bonds4

About 2-methyl-2-[(3E)-4-methylhexa-3,5-dienyl]-1,3-dioxolane

2-methyl-2-[(3E)-4-methylhexa-3,5-dienyl]-1,3-dioxolane (PubChem CID 14968919) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 2-methyl-2-[(3E)-4-methylhexa-3,5-dienyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-methyl-2-[(3E)-4-methylhexa-3,5-dienyl]-1,3-dioxolane
PubChem CID14968919
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name2-methyl-2-[(3E)-4-methylhexa-3,5-dienyl]-1,3-dioxolane
SMILESC=C/C(C)=C/CCC1(C)OCCO1
InChIInChI=1S/C11H18O2/c1-4-10(2)6-5-7-11(3)12-8-9-13-11/h4,6H,1,5,7-9H2,2-3H3/b10-6+
InChIKeyBUTNGXQIBFUGIE-UXBLZVDNSA-N
XLogP2.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methyl-2-[(3E)-4-methylhexa-3,5-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

Related Compounds

2,4-Dimethyl-2-(4-methylpent-3-enyl)-1,3-dioxolane
CID 109257
2-Methyl-2-(4-methylpent-3-enyl)-1,3-dioxolane
CID 77280
7-Vinyl-1,4-dioxaspiro[4.5]dec-7-ene
CID 91801305
1,4-Dioxaspiro[4.5]dec-7-ene, 8-ethenyl-
CID 10866700
2-methyl-2-[(3E)-3-pentenyl]-1,3-dioxolane
CID 12486424
2-methyl-2-[(E)-4-methylnon-3-enyl]-1,3-dioxolane
CID 12541153
2-methyl-2-[(E)-4-methylhex-3-enyl]-1,3-dioxolane
CID 12541151
2-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-methyl-1,3-dioxolane
CID 24859456
2-[(E)-hept-4-enyl]-2-methyl-1,3-dioxolane
CID 11074074
2-[(7E)-8,12-dimethyltrideca-7,11-dien-3-ynyl]-2-methyl-1,3-dioxolane
CID 10356900
(3aR,5Z,7Z,9aS)-2,2-dimethyl-3a,4,9,9a-tetrahydrocycloocta[d][1,3]dioxole
CID 10877723
2-methyl-2-[(Z)-pent-3-enyl]-1,3-dioxolane
CID 12486425

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(3E)-4-methylhexa-3,5-dienyl]-1,3-dioxolane?
The IUPAC name of 2-methyl-2-[(3E)-4-methylhexa-3,5-dienyl]-1,3-dioxolane (CID 14968919) is 2-methyl-2-[(3E)-4-methylhexa-3,5-dienyl]-1,3-dioxolane.
What is the SMILES notation for 2-methyl-2-[(3E)-4-methylhexa-3,5-dienyl]-1,3-dioxolane?
The canonical SMILES for 2-methyl-2-[(3E)-4-methylhexa-3,5-dienyl]-1,3-dioxolane is C=C/C(C)=C/CCC1(C)OCCO1.
What is the InChIKey of 2-methyl-2-[(3E)-4-methylhexa-3,5-dienyl]-1,3-dioxolane?
The InChIKey is BUTNGXQIBFUGIE-UXBLZVDNSA-N. The full InChI is InChI=1S/C11H18O2/c1-4-10(2)6-5-7-11(3)12-8-9-13-11/h4,6H,1,5,7-9H2,2-3H3/b10-6+.
What are the key properties of 2-methyl-2-[(3E)-4-methylhexa-3,5-dienyl]-1,3-dioxolane?
2-methyl-2-[(3E)-4-methylhexa-3,5-dienyl]-1,3-dioxolane has a molecular weight of 182.26 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(3E)-4-methylhexa-3,5-dienyl]-1,3-dioxolane is sourced from PubChem (CID 14968919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).