1-methylidene-2-(2,2,4,4,5-pentamethylhex-5-enyl)cyclododecane

C24H44 — CID 123219702

IUPAC1-methylidene-2-(2,2,4,4,5-pentamethylhex-5-enyl)cyclododecane
SMILESC=C1CCCCCCCCCCC1CC(C)(C)CC(C)(C)C(=C)C
InChIInChI=1S/C24H44/c1-20(2)24(6,7)19-23(4,5)18-22-17-15-13-11-9-8-10-12-14-16-21(22)3/h22H,1,3,8-19H2,2,4-7H3
InChIKeyAQSOQXJQGXQCDV-UHFFFAOYSA-N
MW332.62 g/mol
LogP8.48
Rot. Bonds5

About 1-methylidene-2-(2,2,4,4,5-pentamethylhex-5-enyl)cyclododecane

1-methylidene-2-(2,2,4,4,5-pentamethylhex-5-enyl)cyclododecane (PubChem CID 123219702) has the molecular formula C24H44 and a molecular weight of 332.62 g/mol. Its IUPAC name is 1-methylidene-2-(2,2,4,4,5-pentamethylhex-5-enyl)cyclododecane.

Molecular Properties

Compound Name1-methylidene-2-(2,2,4,4,5-pentamethylhex-5-enyl)cyclododecane
PubChem CID123219702
Molecular FormulaC24H44
Molecular Weight332.62 g/mol
Exact Mass332.34
IUPAC Name1-methylidene-2-(2,2,4,4,5-pentamethylhex-5-enyl)cyclododecane
SMILESC=C1CCCCCCCCCCC1CC(C)(C)CC(C)(C)C(=C)C
InChIInChI=1S/C24H44/c1-20(2)24(6,7)19-23(4,5)18-22-17-15-13-11-9-8-10-12-14-16-21(22)3/h22H,1,3,8-19H2,2,4-7H3
InChIKeyAQSOQXJQGXQCDV-UHFFFAOYSA-N
XLogP8.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.62
LogP ≤ 58.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-methylidene-2-(2,2,4,4,5-pentamethylhex-5-enyl)cyclododecane 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-4-(2-methylidenecycloheptyl)butan-2-amine
CID 126599217
1-methylidene-2-(2-methylprop-2-enyl)cyclopentane
CID 13218167
(2R)-1-methylidene-2-propylcyclohexane
CID 134991246
(2-methylidenecyclopentyl)methanol;hydrochloride
CID 142907473
2-(2-methylidenecyclohexyl)acetaldehyde
CID 11344057
1-methylidene-2-prop-1-en-2-ylcyclopentane
CID 86017725
2-(2-methylprop-2-enyl)cyclotridecan-1-one
CID 164771739
2-methyl-2-[2-(2-methylidenecyclohexyl)ethyl]-1,3-dioxolane
CID 14785781
2-(3-methylbut-3-enyl)cyclohexan-1-one
CID 11217447
2-ethyl-3-methylidenecycloheptan-1-ol
CID 71439619
N-methoxy-N-methyl-2-[(1R)-2-methylidenecyclohexyl]acetamide
CID 135001013
[1,1,1,3,3-pentafluoro-2-[(2-methylidenecyclohexyl)methoxy]propan-2-yl] 2-methylprop-2-enoate
CID 89353996

Frequently Asked Questions

What is the IUPAC name of 1-methylidene-2-(2,2,4,4,5-pentamethylhex-5-enyl)cyclododecane?
The IUPAC name of 1-methylidene-2-(2,2,4,4,5-pentamethylhex-5-enyl)cyclododecane (CID 123219702) is 1-methylidene-2-(2,2,4,4,5-pentamethylhex-5-enyl)cyclododecane.
What is the SMILES notation for 1-methylidene-2-(2,2,4,4,5-pentamethylhex-5-enyl)cyclododecane?
The canonical SMILES for 1-methylidene-2-(2,2,4,4,5-pentamethylhex-5-enyl)cyclododecane is C=C1CCCCCCCCCCC1CC(C)(C)CC(C)(C)C(=C)C.
What is the InChIKey of 1-methylidene-2-(2,2,4,4,5-pentamethylhex-5-enyl)cyclododecane?
The InChIKey is AQSOQXJQGXQCDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44/c1-20(2)24(6,7)19-23(4,5)18-22-17-15-13-11-9-8-10-12-14-16-21(22)3/h22H,1,3,8-19H2,2,4-7H3.
What are the key properties of 1-methylidene-2-(2,2,4,4,5-pentamethylhex-5-enyl)cyclododecane?
1-methylidene-2-(2,2,4,4,5-pentamethylhex-5-enyl)cyclododecane has a molecular weight of 332.62 g/mol, XLogP of 8.48, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylidene-2-(2,2,4,4,5-pentamethylhex-5-enyl)cyclododecane is sourced from PubChem (CID 123219702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).