2-methyl-5-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexa-1,3-diene

C20H32 — CID 154528812

IUPAC2-methyl-5-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexa-1,3-diene
SMILESCC1=CCC(C2CCC(C3CCC(C)CC3)CC2)C=C1
InChIInChI=1S/C20H32/c1-15-3-7-17(8-4-15)19-11-13-20(14-12-19)18-9-5-16(2)6-10-18/h3-4,7,16-20H,5-6,8-14H2,1-2H3
InChIKeyDGFRQYLQWBDLTC-UHFFFAOYSA-N
MW272.48 g/mol
LogP6.14
Rot. Bonds2

About 2-methyl-5-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexa-1,3-diene

2-methyl-5-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexa-1,3-diene (PubChem CID 154528812) has the molecular formula C20H32 and a molecular weight of 272.48 g/mol. Its IUPAC name is 2-methyl-5-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexa-1,3-diene.

Molecular Properties

Compound Name2-methyl-5-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexa-1,3-diene
PubChem CID154528812
Molecular FormulaC20H32
Molecular Weight272.48 g/mol
Exact Mass272.25
IUPAC Name2-methyl-5-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexa-1,3-diene
SMILESCC1=CCC(C2CCC(C3CCC(C)CC3)CC2)C=C1
InChIInChI=1S/C20H32/c1-15-3-7-17(8-4-15)19-11-13-20(14-12-19)18-9-5-16(2)6-10-18/h3-4,7,16-20H,5-6,8-14H2,1-2H3
InChIKeyDGFRQYLQWBDLTC-UHFFFAOYSA-N
XLogP6.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.48
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-[4-(4-methylcyclohexyl)cyclohexa-1,5-dien-1-yl]benzonitrile
CID 19005313
4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexa-1,5-diene-1-carbaldehyde
CID 145172633
2-(4-decylcyclohexyl)-5-(4-methylcyclohexyl)cyclohexa-1,3-diene
CID 139627529
1-decyl-4-[4-(4-methylcyclohexyl)cyclohexa-1,5-dien-1-yl]benzene
CID 19005633
4-methyl-N-(4-methylcyclohexa-2,4-dien-1-yl)oxy-N-oxidocyclohexan-1-amine
CID 163896200
[2,6-difluoro-4-[4-(4-methylcyclohexyl)cyclohexa-1,5-dien-1-yl]phenyl] thiocyanate
CID 167053657
1-methyl-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexane;hydrate
CID 169431622
6-methyl-3-[4-(4-methylcyclohexyl)cyclohexyl]-3,4-dihydro-2H-pyran
CID 118583459
5-iodo-2-methylcyclohexa-1,3-diene
CID 70252237
tetrakis(1,4-bis(4-methylcyclohexyl)cyclohexane);pentakis(1-methyl-4-(4-methylcyclohexyl)cyclohexane);1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexene;molecular hydrogen;dodecahydrate
CID 161058057
5-butyl-2-methylcyclohexa-1,3-diene
CID 12596747
2,7-dimethyl-1,2,3,4,4a,5,8,8a-octahydronaphthalene
CID 176921529

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexa-1,3-diene?
The IUPAC name of 2-methyl-5-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexa-1,3-diene (CID 154528812) is 2-methyl-5-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexa-1,3-diene.
What is the SMILES notation for 2-methyl-5-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexa-1,3-diene?
The canonical SMILES for 2-methyl-5-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexa-1,3-diene is CC1=CCC(C2CCC(C3CCC(C)CC3)CC2)C=C1.
What is the InChIKey of 2-methyl-5-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexa-1,3-diene?
The InChIKey is DGFRQYLQWBDLTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32/c1-15-3-7-17(8-4-15)19-11-13-20(14-12-19)18-9-5-16(2)6-10-18/h3-4,7,16-20H,5-6,8-14H2,1-2H3.
What are the key properties of 2-methyl-5-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexa-1,3-diene?
2-methyl-5-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexa-1,3-diene has a molecular weight of 272.48 g/mol, XLogP of 6.14, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexa-1,3-diene is sourced from PubChem (CID 154528812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).