4-methyl-2-[3-(5-methyl-2-propan-2-ylcyclohexyl)buta-1,3-dien-2-yl]-1-propan-2-ylcyclohexane

C24H42 — CID 54004505

IUPAC4-methyl-2-[3-(5-methyl-2-propan-2-ylcyclohexyl)buta-1,3-dien-2-yl]-1-propan-2-ylcyclohexane
SMILESC=C(C(=C)C1CC(C)CCC1C(C)C)C1CC(C)CCC1C(C)C
InChIInChI=1S/C24H42/c1-15(2)21-11-9-17(5)13-23(21)19(7)20(8)24-14-18(6)10-12-22(24)16(3)4/h15-18,21-24H,7-14H2,1-6H3
InChIKeyKNWUQBBFYSVRSX-UHFFFAOYSA-N
MW330.60 g/mol
LogP7.52
Rot. Bonds5

About 4-methyl-2-[3-(5-methyl-2-propan-2-ylcyclohexyl)buta-1,3-dien-2-yl]-1-propan-2-ylcyclohexane

4-methyl-2-[3-(5-methyl-2-propan-2-ylcyclohexyl)buta-1,3-dien-2-yl]-1-propan-2-ylcyclohexane (PubChem CID 54004505) has the molecular formula C24H42 and a molecular weight of 330.60 g/mol. Its IUPAC name is 4-methyl-2-[3-(5-methyl-2-propan-2-ylcyclohexyl)buta-1,3-dien-2-yl]-1-propan-2-ylcyclohexane.

Molecular Properties

Compound Name4-methyl-2-[3-(5-methyl-2-propan-2-ylcyclohexyl)buta-1,3-dien-2-yl]-1-propan-2-ylcyclohexane
PubChem CID54004505
Molecular FormulaC24H42
Molecular Weight330.60 g/mol
Exact Mass330.33
IUPAC Name4-methyl-2-[3-(5-methyl-2-propan-2-ylcyclohexyl)buta-1,3-dien-2-yl]-1-propan-2-ylcyclohexane
SMILESC=C(C(=C)C1CC(C)CCC1C(C)C)C1CC(C)CCC1C(C)C
InChIInChI=1S/C24H42/c1-15(2)21-11-9-17(5)13-23(21)19(7)20(8)24-14-18(6)10-12-22(24)16(3)4/h15-18,21-24H,7-14H2,1-6H3
InChIKeyKNWUQBBFYSVRSX-UHFFFAOYSA-N
XLogP7.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.60
LogP ≤ 57.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-2-propan-2-ylcyclohexane-1-carboxylic acid;hydrochloride
CID 66645461
5-methyl-N-oxo-2-propan-2-ylcyclohexane-1-carboxamide
CID 87694717
(1R,2S,5R)-N,5-dimethyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 58330084
(2S)-4-methyl-1,2-di(propan-2-yl)cyclohexane
CID 169042978
2,4-bis(5-methyl-2-propan-2-ylcyclohexyl)penta-2,3-dienedioic acid
CID 22468078
(1R,2S,5R)-N-ethyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 7168187
trans-(1R,2S)-N-ethyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 89464561
(1R)-N-ethyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 90384157
CID 66630118
CID 66630118
hypochlorous acid;5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 174568794
[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-pyridin-2-ylmethanone
CID 10955833
(5-methyl-2-propan-2-ylcyclohexyl)-piperidin-1-ylmethanone
CID 70597655

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[3-(5-methyl-2-propan-2-ylcyclohexyl)buta-1,3-dien-2-yl]-1-propan-2-ylcyclohexane?
The IUPAC name of 4-methyl-2-[3-(5-methyl-2-propan-2-ylcyclohexyl)buta-1,3-dien-2-yl]-1-propan-2-ylcyclohexane (CID 54004505) is 4-methyl-2-[3-(5-methyl-2-propan-2-ylcyclohexyl)buta-1,3-dien-2-yl]-1-propan-2-ylcyclohexane.
What is the SMILES notation for 4-methyl-2-[3-(5-methyl-2-propan-2-ylcyclohexyl)buta-1,3-dien-2-yl]-1-propan-2-ylcyclohexane?
The canonical SMILES for 4-methyl-2-[3-(5-methyl-2-propan-2-ylcyclohexyl)buta-1,3-dien-2-yl]-1-propan-2-ylcyclohexane is C=C(C(=C)C1CC(C)CCC1C(C)C)C1CC(C)CCC1C(C)C.
What is the InChIKey of 4-methyl-2-[3-(5-methyl-2-propan-2-ylcyclohexyl)buta-1,3-dien-2-yl]-1-propan-2-ylcyclohexane?
The InChIKey is KNWUQBBFYSVRSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42/c1-15(2)21-11-9-17(5)13-23(21)19(7)20(8)24-14-18(6)10-12-22(24)16(3)4/h15-18,21-24H,7-14H2,1-6H3.
What are the key properties of 4-methyl-2-[3-(5-methyl-2-propan-2-ylcyclohexyl)buta-1,3-dien-2-yl]-1-propan-2-ylcyclohexane?
4-methyl-2-[3-(5-methyl-2-propan-2-ylcyclohexyl)buta-1,3-dien-2-yl]-1-propan-2-ylcyclohexane has a molecular weight of 330.60 g/mol, XLogP of 7.52, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[3-(5-methyl-2-propan-2-ylcyclohexyl)buta-1,3-dien-2-yl]-1-propan-2-ylcyclohexane is sourced from PubChem (CID 54004505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).