5-but-3-en-2-yl-1,2-dimethyl-3-methylidenecyclohexane

C13H22 — CID 156791293

IUPAC5-but-3-en-2-yl-1,2-dimethyl-3-methylidenecyclohexane
SMILESC=CC(C)C1CC(=C)C(C)C(C)C1
InChIInChI=1S/C13H22/c1-6-9(2)13-7-10(3)12(5)11(4)8-13/h6,9,11-13H,1,3,7-8H2,2,4-5H3
InChIKeyZMSOLERDHOKHIU-UHFFFAOYSA-N
MW178.32 g/mol
LogP4.05
Rot. Bonds2

About 5-but-3-en-2-yl-1,2-dimethyl-3-methylidenecyclohexane

5-but-3-en-2-yl-1,2-dimethyl-3-methylidenecyclohexane (PubChem CID 156791293) has the molecular formula C13H22 and a molecular weight of 178.32 g/mol. Its IUPAC name is 5-but-3-en-2-yl-1,2-dimethyl-3-methylidenecyclohexane.

Molecular Properties

Compound Name5-but-3-en-2-yl-1,2-dimethyl-3-methylidenecyclohexane
PubChem CID156791293
Molecular FormulaC13H22
Molecular Weight178.32 g/mol
Exact Mass178.17
IUPAC Name5-but-3-en-2-yl-1,2-dimethyl-3-methylidenecyclohexane
SMILESC=CC(C)C1CC(=C)C(C)C(C)C1
InChIInChI=1S/C13H22/c1-6-9(2)13-7-10(3)12(5)11(4)8-13/h6,9,11-13H,1,3,7-8H2,2,4-5H3
InChIKeyZMSOLERDHOKHIU-UHFFFAOYSA-N
XLogP4.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.32
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 5-but-3-en-2-yl-1,2-dimethyl-3-methylidenecyclohexane 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

5-but-3-en-2-yl-4-methyloxolan-2-ol
CID 130150445
4-methyl-1-methylidene-2-pent-1-en-3-ylcyclopentane
CID 163877096
1,2-dimethyl-3-methylidenecyclopentane
CID 529615
5-but-3-en-2-ylpyrrolidin-2-one
CID 174843717
4-[(2S)-but-3-en-2-yl]-1-fluoro-1-methylcyclohexane
CID 142543146
1,2,3,6-tetramethyl-4-methylidenepiperidine
CID 123747817
5-but-3-en-2-ylbicyclo[2.2.1]hept-2-ene
CID 22561154
2-methyl-3-methylidene-5-prop-1-en-2-ylcyclohexane-1-carbonitrile
CID 58281611
(2R)-2-[(2S)-but-3-en-2-yl]oxirane
CID 10103123
(1S,2S,4S,5R)-2-[(2R)-but-3-en-2-yl]-4-ethyl-5-methylcyclohexan-1-ol
CID 158468471
3-but-3-en-2-yl-1-methylcyclopentan-1-ol
CID 123602415
2,3-dimethyl-4-[1-(3-methylcyclohexyl)ethyl]-1-methylidene-5-propan-2-ylcyclohexane
CID 163712133

Frequently Asked Questions

What is the IUPAC name of 5-but-3-en-2-yl-1,2-dimethyl-3-methylidenecyclohexane?
The IUPAC name of 5-but-3-en-2-yl-1,2-dimethyl-3-methylidenecyclohexane (CID 156791293) is 5-but-3-en-2-yl-1,2-dimethyl-3-methylidenecyclohexane.
What is the SMILES notation for 5-but-3-en-2-yl-1,2-dimethyl-3-methylidenecyclohexane?
The canonical SMILES for 5-but-3-en-2-yl-1,2-dimethyl-3-methylidenecyclohexane is C=CC(C)C1CC(=C)C(C)C(C)C1.
What is the InChIKey of 5-but-3-en-2-yl-1,2-dimethyl-3-methylidenecyclohexane?
The InChIKey is ZMSOLERDHOKHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22/c1-6-9(2)13-7-10(3)12(5)11(4)8-13/h6,9,11-13H,1,3,7-8H2,2,4-5H3.
What are the key properties of 5-but-3-en-2-yl-1,2-dimethyl-3-methylidenecyclohexane?
5-but-3-en-2-yl-1,2-dimethyl-3-methylidenecyclohexane has a molecular weight of 178.32 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-but-3-en-2-yl-1,2-dimethyl-3-methylidenecyclohexane is sourced from PubChem (CID 156791293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).