1-ethenyl-1,3,3,5-tetramethylcyclohexane

C12H22 — CID 20692079

IUPAC1-ethenyl-1,3,3,5-tetramethylcyclohexane
SMILESC=CC1(C)CC(C)CC(C)(C)C1
InChIInChI=1S/C12H22/c1-6-12(5)8-10(2)7-11(3,4)9-12/h6,10H,1,7-9H2,2-5H3
InChIKeyOORHZDNQBCMKLA-UHFFFAOYSA-N
MW166.31 g/mol
LogP4.02
Rot. Bonds1

About 1-ethenyl-1,3,3,5-tetramethylcyclohexane

1-ethenyl-1,3,3,5-tetramethylcyclohexane (PubChem CID 20692079) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is 1-ethenyl-1,3,3,5-tetramethylcyclohexane.

Molecular Properties

Compound Name1-ethenyl-1,3,3,5-tetramethylcyclohexane
PubChem CID20692079
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name1-ethenyl-1,3,3,5-tetramethylcyclohexane
SMILESC=CC1(C)CC(C)CC(C)(C)C1
InChIInChI=1S/C12H22/c1-6-12(5)8-10(2)7-11(3,4)9-12/h6,10H,1,7-9H2,2-5H3
InChIKeyOORHZDNQBCMKLA-UHFFFAOYSA-N
XLogP4.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-ethenyl-1,3,3,5-tetramethylcyclohexane 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

1,1,3,5-tetramethyl-3-prop-2-enylcyclohexane
CID 149337768
1,1,3-trimethylcyclobutane
CID 12656861
1-ethyl-1,3,3,5-tetramethylcyclohexane;methane
CID 144643068
2,2,4,4,8,10,10-heptamethylspiro[5.5]undecane
CID 59482332
(5R)-1,1-difluoro-3,3,5-trimethylcyclohexane
CID 124582887
fluoromethane;1,3,3,5-tetramethylcyclohexan-1-ol
CID 142032504
(3E,5E)-6-[1-[(3E,5E)-6-hydroxyocta-1,3,5,7-tetraen-3-yl]-3,3,5-trimethylcyclohexyl]octa-1,3,5,7-tetraen-3-ol
CID 155380161
1,3,5,7-tetramethyl-3-prop-2-enylbicyclo[3.3.1]nonane
CID 143368961
1-(methoxymethyl)-1,3,3,5-tetramethylcyclohexane
CID 20692115
trans-(3R,5S)-1,1,3,5-tetramethyl-3-propan-2-ylcyclohexane
CID 59970292
1,2,2,4,6,6-hexamethylpiperidine;1,1,3,3,5-pentamethylcyclohexane
CID 159311627
benzene;ethane;1-ethyl-1,3,3,5-tetramethylcyclohexane
CID 158757450

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-1,3,3,5-tetramethylcyclohexane?
The IUPAC name of 1-ethenyl-1,3,3,5-tetramethylcyclohexane (CID 20692079) is 1-ethenyl-1,3,3,5-tetramethylcyclohexane.
What is the SMILES notation for 1-ethenyl-1,3,3,5-tetramethylcyclohexane?
The canonical SMILES for 1-ethenyl-1,3,3,5-tetramethylcyclohexane is C=CC1(C)CC(C)CC(C)(C)C1.
What is the InChIKey of 1-ethenyl-1,3,3,5-tetramethylcyclohexane?
The InChIKey is OORHZDNQBCMKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22/c1-6-12(5)8-10(2)7-11(3,4)9-12/h6,10H,1,7-9H2,2-5H3.
What are the key properties of 1-ethenyl-1,3,3,5-tetramethylcyclohexane?
1-ethenyl-1,3,3,5-tetramethylcyclohexane has a molecular weight of 166.31 g/mol, XLogP of 4.02, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-1,3,3,5-tetramethylcyclohexane is sourced from PubChem (CID 20692079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).