2-methyl-2-[(E)-2-(2,6,6-trimethylcyclohex-2-en-1-yl)ethenyl]-1,3-dioxolane

C15H24O2 — CID 58005039

IUPAC2-methyl-2-[(E)-2-(2,6,6-trimethylcyclohex-2-en-1-yl)ethenyl]-1,3-dioxolane
SMILESCC1=CCCC(C)(C)C1/C=C/C1(C)OCCO1
InChIInChI=1S/C15H24O2/c1-12-6-5-8-14(2,3)13(12)7-9-15(4)16-10-11-17-15/h6-7,9,13H,5,8,10-11H2,1-4H3/b9-7+
InChIKeyBJQDHVYUBHHJHM-VQHVLOKHSA-N
MW236.35 g/mol
LogP3.69
Rot. Bonds2

About 2-methyl-2-[(E)-2-(2,6,6-trimethylcyclohex-2-en-1-yl)ethenyl]-1,3-dioxolane

2-methyl-2-[(E)-2-(2,6,6-trimethylcyclohex-2-en-1-yl)ethenyl]-1,3-dioxolane (PubChem CID 58005039) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 2-methyl-2-[(E)-2-(2,6,6-trimethylcyclohex-2-en-1-yl)ethenyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-methyl-2-[(E)-2-(2,6,6-trimethylcyclohex-2-en-1-yl)ethenyl]-1,3-dioxolane
PubChem CID58005039
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name2-methyl-2-[(E)-2-(2,6,6-trimethylcyclohex-2-en-1-yl)ethenyl]-1,3-dioxolane
SMILESCC1=CCCC(C)(C)C1/C=C/C1(C)OCCO1
InChIInChI=1S/C15H24O2/c1-12-6-5-8-14(2,3)13(12)7-9-15(4)16-10-11-17-15/h6-7,9,13H,5,8,10-11H2,1-4H3/b9-7+
InChIKeyBJQDHVYUBHHJHM-VQHVLOKHSA-N
XLogP3.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methyl-2-[(E)-2-(2,6,6-trimethylcyclohex-2-en-1-yl)ethenyl]-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-methyl-2-[(E)-2-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)ethenyl]-1,3-dioxolane
CID 58005043
2-Methyl-2-[2-(2,6,6-trimethylcyclohex-2-en-1-yl)ethenyl]-1,3-dioxolane
CID 70371688
3,5,5-Trimethyl-4-[2-(2-methyl-1,3-dioxolan-2-yl)ethenyl]cyclohex-2-en-1-ol
CID 70371690
3,5,5-Trimethyl-4-[2-(2-methyl-1,3-dioxolan-2-yl)ethenyl]cyclohex-2-en-1-one
CID 70371890
4-[(E)-2-cyclohexylethenyl]-2,2-dimethyl-1,3-dioxolane
CID 13440554
2-[(E)-2-cyclohexylethenyl]-1,3-dioxolane
CID 125476243
7,8-Dimethyl-1,4-dioxaspiro[4.5]dec-6-ene
CID 131852235
2-Methyl-2-(1,2,3-trimethylcyclohex-3-en-1-yl)-1,3-dioxolane
CID 134979641
2-methyl-2-[(1R,6R)-1,4,6-trimethylcyclohex-3-en-1-yl]-1,3-dioxolane
CID 134979642
2-methyl-2-[(1S,6R)-1,2,6-trimethylcyclohex-3-en-1-yl]-1,3-dioxolane
CID 134980022
2-Methyl-2-(1,2,4-trimethylcyclohex-3-en-1-yl)-1,3-dioxolane
CID 134980617
2-methyl-2-[(1S,6R)-1,2,4,6-tetramethylcyclohex-3-en-1-yl]-1,3-dioxolane
CID 134991156

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(E)-2-(2,6,6-trimethylcyclohex-2-en-1-yl)ethenyl]-1,3-dioxolane?
The IUPAC name of 2-methyl-2-[(E)-2-(2,6,6-trimethylcyclohex-2-en-1-yl)ethenyl]-1,3-dioxolane (CID 58005039) is 2-methyl-2-[(E)-2-(2,6,6-trimethylcyclohex-2-en-1-yl)ethenyl]-1,3-dioxolane.
What is the SMILES notation for 2-methyl-2-[(E)-2-(2,6,6-trimethylcyclohex-2-en-1-yl)ethenyl]-1,3-dioxolane?
The canonical SMILES for 2-methyl-2-[(E)-2-(2,6,6-trimethylcyclohex-2-en-1-yl)ethenyl]-1,3-dioxolane is CC1=CCCC(C)(C)C1/C=C/C1(C)OCCO1.
What is the InChIKey of 2-methyl-2-[(E)-2-(2,6,6-trimethylcyclohex-2-en-1-yl)ethenyl]-1,3-dioxolane?
The InChIKey is BJQDHVYUBHHJHM-VQHVLOKHSA-N. The full InChI is InChI=1S/C15H24O2/c1-12-6-5-8-14(2,3)13(12)7-9-15(4)16-10-11-17-15/h6-7,9,13H,5,8,10-11H2,1-4H3/b9-7+.
What are the key properties of 2-methyl-2-[(E)-2-(2,6,6-trimethylcyclohex-2-en-1-yl)ethenyl]-1,3-dioxolane?
2-methyl-2-[(E)-2-(2,6,6-trimethylcyclohex-2-en-1-yl)ethenyl]-1,3-dioxolane has a molecular weight of 236.35 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(E)-2-(2,6,6-trimethylcyclohex-2-en-1-yl)ethenyl]-1,3-dioxolane is sourced from PubChem (CID 58005039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).