5-ethenyl-1,5-bis(5-methyl-2-propan-2-ylcyclohexyl)cyclohexa-1,3-diene

C28H46 — CID 154432763

IUPAC5-ethenyl-1,5-bis(5-methyl-2-propan-2-ylcyclohexyl)cyclohexa-1,3-diene
SMILESC=CC1(C2CC(C)CCC2C(C)C)C=CC=C(C2CC(C)CCC2C(C)C)C1
InChIInChI=1S/C28H46/c1-8-28(27-17-22(7)12-14-25(27)20(4)5)15-9-10-23(18-28)26-16-21(6)11-13-24(26)19(2)3/h8-10,15,19-22,24-27H,1,11-14,16-18H2,2-7H3
InChIKeyWJZRWOQBAZDIIP-UHFFFAOYSA-N
MW382.68 g/mol
LogP8.46
Rot. Bonds5

About 5-ethenyl-1,5-bis(5-methyl-2-propan-2-ylcyclohexyl)cyclohexa-1,3-diene

5-ethenyl-1,5-bis(5-methyl-2-propan-2-ylcyclohexyl)cyclohexa-1,3-diene (PubChem CID 154432763) has the molecular formula C28H46 and a molecular weight of 382.68 g/mol. Its IUPAC name is 5-ethenyl-1,5-bis(5-methyl-2-propan-2-ylcyclohexyl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name5-ethenyl-1,5-bis(5-methyl-2-propan-2-ylcyclohexyl)cyclohexa-1,3-diene
PubChem CID154432763
Molecular FormulaC28H46
Molecular Weight382.68 g/mol
Exact Mass382.36
IUPAC Name5-ethenyl-1,5-bis(5-methyl-2-propan-2-ylcyclohexyl)cyclohexa-1,3-diene
SMILESC=CC1(C2CC(C)CCC2C(C)C)C=CC=C(C2CC(C)CCC2C(C)C)C1
InChIInChI=1S/C28H46/c1-8-28(27-17-22(7)12-14-25(27)20(4)5)15-9-10-23(18-28)26-16-21(6)11-13-24(26)19(2)3/h8-10,15,19-22,24-27H,1,11-14,16-18H2,2-7H3
InChIKeyWJZRWOQBAZDIIP-UHFFFAOYSA-N
XLogP8.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.68
LogP ≤ 58.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 5-ethenyl-1,5-bis(5-methyl-2-propan-2-ylcyclohexyl)cyclohexa-1,3-diene 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

(1S,4S,4aR,6S,8aR)-8a-ethenyl-1,6-dimethyl-4-propan-2-yl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene
CID 143887968
4-methyl-2-[5-(5-methyl-2-propan-2-ylcyclohexyl)cyclopenta-1,4-dien-1-yl]-1-propan-2-ylcyclohexane
CID 88632745
[2-(5-methyl-2-propan-2-ylcyclohexyl)phenyl] prop-2-enoate
CID 67635828
[4-(5-methyl-2-propan-2-ylcyclohexyl)phenyl] prop-2-enoate
CID 67635829
CID 66630118
CID 66630118
hypochlorous acid;5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 174568794
CID 72788762
CID 72788762
CID 134992473
CID 134992473
1,3-dioxolan-2-one;5-methyl-2-propan-2-ylcyclohexan-1-ol;prop-1-ene
CID 134346107
(2S)-4-methyl-1,2-di(propan-2-yl)cyclohexane
CID 169042978
2,2,5-trimethyl-5-(5-methyl-2-propan-2-ylcyclohexyl)cyclopentan-1-one
CID 23154684
(1S,2S,4R)-4-methyl-1-propan-2-yl-2-(3-propan-2-ylidenecyclopenta-1,4-dien-1-yl)cyclohexane
CID 101104006

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-1,5-bis(5-methyl-2-propan-2-ylcyclohexyl)cyclohexa-1,3-diene?
The IUPAC name of 5-ethenyl-1,5-bis(5-methyl-2-propan-2-ylcyclohexyl)cyclohexa-1,3-diene (CID 154432763) is 5-ethenyl-1,5-bis(5-methyl-2-propan-2-ylcyclohexyl)cyclohexa-1,3-diene.
What is the SMILES notation for 5-ethenyl-1,5-bis(5-methyl-2-propan-2-ylcyclohexyl)cyclohexa-1,3-diene?
The canonical SMILES for 5-ethenyl-1,5-bis(5-methyl-2-propan-2-ylcyclohexyl)cyclohexa-1,3-diene is C=CC1(C2CC(C)CCC2C(C)C)C=CC=C(C2CC(C)CCC2C(C)C)C1.
What is the InChIKey of 5-ethenyl-1,5-bis(5-methyl-2-propan-2-ylcyclohexyl)cyclohexa-1,3-diene?
The InChIKey is WJZRWOQBAZDIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H46/c1-8-28(27-17-22(7)12-14-25(27)20(4)5)15-9-10-23(18-28)26-16-21(6)11-13-24(26)19(2)3/h8-10,15,19-22,24-27H,1,11-14,16-18H2,2-7H3.
What are the key properties of 5-ethenyl-1,5-bis(5-methyl-2-propan-2-ylcyclohexyl)cyclohexa-1,3-diene?
5-ethenyl-1,5-bis(5-methyl-2-propan-2-ylcyclohexyl)cyclohexa-1,3-diene has a molecular weight of 382.68 g/mol, XLogP of 8.46, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-1,5-bis(5-methyl-2-propan-2-ylcyclohexyl)cyclohexa-1,3-diene is sourced from PubChem (CID 154432763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).