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

C25H42 — CID 88632745

IUPAC4-methyl-2-[5-(5-methyl-2-propan-2-ylcyclohexyl)cyclopenta-1,4-dien-1-yl]-1-propan-2-ylcyclohexane
SMILESCC1CCC(C(C)C)C(C2=CCC=C2C2CC(C)CCC2C(C)C)C1
InChIInChI=1S/C25H42/c1-16(2)20-12-10-18(5)14-24(20)22-8-7-9-23(22)25-15-19(6)11-13-21(25)17(3)4/h8-9,16-21,24-25H,7,10-15H2,1-6H3
InChIKeyMWNZBCPIEIFGKE-UHFFFAOYSA-N
MW342.61 g/mol
LogP7.66
Rot. Bonds4

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

4-methyl-2-[5-(5-methyl-2-propan-2-ylcyclohexyl)cyclopenta-1,4-dien-1-yl]-1-propan-2-ylcyclohexane (PubChem CID 88632745) has the molecular formula C25H42 and a molecular weight of 342.61 g/mol. Its IUPAC name is 4-methyl-2-[5-(5-methyl-2-propan-2-ylcyclohexyl)cyclopenta-1,4-dien-1-yl]-1-propan-2-ylcyclohexane.

Molecular Properties

Compound Name4-methyl-2-[5-(5-methyl-2-propan-2-ylcyclohexyl)cyclopenta-1,4-dien-1-yl]-1-propan-2-ylcyclohexane
PubChem CID88632745
Molecular FormulaC25H42
Molecular Weight342.61 g/mol
Exact Mass342.33
IUPAC Name4-methyl-2-[5-(5-methyl-2-propan-2-ylcyclohexyl)cyclopenta-1,4-dien-1-yl]-1-propan-2-ylcyclohexane
SMILESCC1CCC(C(C)C)C(C2=CCC=C2C2CC(C)CCC2C(C)C)C1
InChIInChI=1S/C25H42/c1-16(2)20-12-10-18(5)14-24(20)22-8-7-9-23(22)25-15-19(6)11-13-21(25)17(3)4/h8-9,16-21,24-25H,7,10-15H2,1-6H3
InChIKeyMWNZBCPIEIFGKE-UHFFFAOYSA-N
XLogP7.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.61
LogP ≤ 57.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 4-methyl-2-[5-(5-methyl-2-propan-2-ylcyclohexyl)cyclopenta-1,4-dien-1-yl]-1-propan-2-ylcyclohexane with MolForge

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Related Compounds

(2S)-4-methyl-1,2-di(propan-2-yl)cyclohexane
CID 169042978
2-ethyl-5-(5-methyl-2-propan-2-ylcyclohexyl)-1H-imidazole
CID 67099926
(1S,2S,4R)-4-methyl-1-propan-2-yl-2-(3-propan-2-ylidenecyclopenta-1,4-dien-1-yl)cyclohexane
CID 101104006
4-methyl-1-propan-2-yl-2-[2,3,4,5-tetrakis(5-methyl-2-propan-2-ylcyclohexyl)cyclopenta-1,4-dien-1-yl]cyclohexane
CID 154422769
CID 66630118
CID 66630118
hypochlorous acid;5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 174568794
3,8-dimethyl-5-propan-2-yl-1,2,3,4,4a,5,6,7-octahydronaphthalene
CID 163050318
CID 134992473
CID 134992473
CID 72788762
CID 72788762
2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]quinoline
CID 122214686
dilithium;dimethyl-[3-(5-methyl-2-propan-2-ylcyclohexyl)cyclopenta-2,4-dien-1-yl]silane;hydride
CID 174397968
(1R,2R,4S)-2-fluoro-4-methyl-1-propan-2-ylcyclohexane
CID 135011931

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[5-(5-methyl-2-propan-2-ylcyclohexyl)cyclopenta-1,4-dien-1-yl]-1-propan-2-ylcyclohexane?
The IUPAC name of 4-methyl-2-[5-(5-methyl-2-propan-2-ylcyclohexyl)cyclopenta-1,4-dien-1-yl]-1-propan-2-ylcyclohexane (CID 88632745) is 4-methyl-2-[5-(5-methyl-2-propan-2-ylcyclohexyl)cyclopenta-1,4-dien-1-yl]-1-propan-2-ylcyclohexane.
What is the SMILES notation for 4-methyl-2-[5-(5-methyl-2-propan-2-ylcyclohexyl)cyclopenta-1,4-dien-1-yl]-1-propan-2-ylcyclohexane?
The canonical SMILES for 4-methyl-2-[5-(5-methyl-2-propan-2-ylcyclohexyl)cyclopenta-1,4-dien-1-yl]-1-propan-2-ylcyclohexane is CC1CCC(C(C)C)C(C2=CCC=C2C2CC(C)CCC2C(C)C)C1.
What is the InChIKey of 4-methyl-2-[5-(5-methyl-2-propan-2-ylcyclohexyl)cyclopenta-1,4-dien-1-yl]-1-propan-2-ylcyclohexane?
The InChIKey is MWNZBCPIEIFGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H42/c1-16(2)20-12-10-18(5)14-24(20)22-8-7-9-23(22)25-15-19(6)11-13-21(25)17(3)4/h8-9,16-21,24-25H,7,10-15H2,1-6H3.
What are the key properties of 4-methyl-2-[5-(5-methyl-2-propan-2-ylcyclohexyl)cyclopenta-1,4-dien-1-yl]-1-propan-2-ylcyclohexane?
4-methyl-2-[5-(5-methyl-2-propan-2-ylcyclohexyl)cyclopenta-1,4-dien-1-yl]-1-propan-2-ylcyclohexane has a molecular weight of 342.61 g/mol, XLogP of 7.66, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[5-(5-methyl-2-propan-2-ylcyclohexyl)cyclopenta-1,4-dien-1-yl]-1-propan-2-ylcyclohexane is sourced from PubChem (CID 88632745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).