5-methyl-2,5-bis(1-methylcyclohexyl)cyclohexa-1,3-diene

C21H34 — CID 141409327

IUPAC5-methyl-2,5-bis(1-methylcyclohexyl)cyclohexa-1,3-diene
SMILESCC1(C2=CCC(C)(C3(C)CCCCC3)C=C2)CCCCC1
InChIInChI=1S/C21H34/c1-19(12-6-4-7-13-19)18-10-16-21(3,17-11-18)20(2)14-8-5-9-15-20/h10-11,16H,4-9,12-15,17H2,1-3H3
InChIKeyKYEXRUQLQILYRK-UHFFFAOYSA-N
MW286.50 g/mol
LogP6.82
Rot. Bonds2

About 5-methyl-2,5-bis(1-methylcyclohexyl)cyclohexa-1,3-diene

5-methyl-2,5-bis(1-methylcyclohexyl)cyclohexa-1,3-diene (PubChem CID 141409327) has the molecular formula C21H34 and a molecular weight of 286.50 g/mol. Its IUPAC name is 5-methyl-2,5-bis(1-methylcyclohexyl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name5-methyl-2,5-bis(1-methylcyclohexyl)cyclohexa-1,3-diene
PubChem CID141409327
Molecular FormulaC21H34
Molecular Weight286.50 g/mol
Exact Mass286.27
IUPAC Name5-methyl-2,5-bis(1-methylcyclohexyl)cyclohexa-1,3-diene
SMILESCC1(C2=CCC(C)(C3(C)CCCCC3)C=C2)CCCCC1
InChIInChI=1S/C21H34/c1-19(12-6-4-7-13-19)18-10-16-21(3,17-11-18)20(2)14-8-5-9-15-20/h10-11,16H,4-9,12-15,17H2,1-3H3
InChIKeyKYEXRUQLQILYRK-UHFFFAOYSA-N
XLogP6.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.50
LogP ≤ 56.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-[1-(4-hydroxy-4-methylcyclohexa-1,5-dien-1-yl)cyclohexyl]-1-methylcyclohexa-2,4-dien-1-ol
CID 142727000
4a,8a-dimethyl-5,6,7,8-tetrahydro-1H-naphthalen-2-one
CID 565274
5-methyl-2-(1-methylcyclobutyl)cyclohexa-1,3-diene
CID 163741635
(4aS,8aR)-4a,8a-dimethyl-1,2,3,4,5,6-hexahydronaphthalene
CID 14339064
(3aR,7aR)-3a,7a-dimethyl-2,3,4,5,6,7-hexahydro-1H-indene
CID 160715479
4a,8a-dimethyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 26067
1-methyl-1-[1-(1-methylcyclohexyl)cyclopentyl]cyclohexane
CID 91349498
2,4,6-tris(1-methylcyclohexyl)-1,3,5-triphosphinine
CID 15488402
1-bromo-2-(1-methylcyclohexyl)benzene
CID 131090981
8-methylspiro[4.5]deca-7,9-diene
CID 123168387
4-(1-methylcycloheptyl)-2H-azadiphosphole
CID 91400839
2-methyl-5-(1-methylcyclohexyl)pyrimidine
CID 145419022

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2,5-bis(1-methylcyclohexyl)cyclohexa-1,3-diene?
The IUPAC name of 5-methyl-2,5-bis(1-methylcyclohexyl)cyclohexa-1,3-diene (CID 141409327) is 5-methyl-2,5-bis(1-methylcyclohexyl)cyclohexa-1,3-diene.
What is the SMILES notation for 5-methyl-2,5-bis(1-methylcyclohexyl)cyclohexa-1,3-diene?
The canonical SMILES for 5-methyl-2,5-bis(1-methylcyclohexyl)cyclohexa-1,3-diene is CC1(C2=CCC(C)(C3(C)CCCCC3)C=C2)CCCCC1.
What is the InChIKey of 5-methyl-2,5-bis(1-methylcyclohexyl)cyclohexa-1,3-diene?
The InChIKey is KYEXRUQLQILYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34/c1-19(12-6-4-7-13-19)18-10-16-21(3,17-11-18)20(2)14-8-5-9-15-20/h10-11,16H,4-9,12-15,17H2,1-3H3.
What are the key properties of 5-methyl-2,5-bis(1-methylcyclohexyl)cyclohexa-1,3-diene?
5-methyl-2,5-bis(1-methylcyclohexyl)cyclohexa-1,3-diene has a molecular weight of 286.50 g/mol, XLogP of 6.82, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2,5-bis(1-methylcyclohexyl)cyclohexa-1,3-diene is sourced from PubChem (CID 141409327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).