1,4-dimethylcyclohexane;1-methyl-4-methylidenecyclohexane;1,2,3,4,5-pentamethylbenzene

C27H46 — CID 159634644

IUPAC1,4-dimethylcyclohexane;1-methyl-4-methylidenecyclohexane;1,2,3,4,5-pentamethylbenzene
SMILESC=C1CCC(C)CC1.CC1CCC(C)CC1.Cc1cc(C)c(C)c(C)c1C
InChIInChI=1S/C11H16.C8H16.C8H14/c1-7-6-8(2)10(4)11(5)9(7)3;2*1-7-3-5-8(2)6-4-7/h6H,1-5H3;7-8H,3-6H2,1-2H3;8H,1,3-6H2,2H3
InChIKeyMPORJCRMVJRQCR-UHFFFAOYSA-N
MW370.67 g/mol
LogP8.81
Rot. Bonds

About 1,4-dimethylcyclohexane;1-methyl-4-methylidenecyclohexane;1,2,3,4,5-pentamethylbenzene

1,4-dimethylcyclohexane;1-methyl-4-methylidenecyclohexane;1,2,3,4,5-pentamethylbenzene (PubChem CID 159634644) has the molecular formula C27H46 and a molecular weight of 370.67 g/mol. Its IUPAC name is 1,4-dimethylcyclohexane;1-methyl-4-methylidenecyclohexane;1,2,3,4,5-pentamethylbenzene.

Molecular Properties

Compound Name1,4-dimethylcyclohexane;1-methyl-4-methylidenecyclohexane;1,2,3,4,5-pentamethylbenzene
PubChem CID159634644
Molecular FormulaC27H46
Molecular Weight370.67 g/mol
Exact Mass370.36
IUPAC Name1,4-dimethylcyclohexane;1-methyl-4-methylidenecyclohexane;1,2,3,4,5-pentamethylbenzene
SMILESC=C1CCC(C)CC1.CC1CCC(C)CC1.Cc1cc(C)c(C)c(C)c1C
InChIInChI=1S/C11H16.C8H16.C8H14/c1-7-6-8(2)10(4)11(5)9(7)3;2*1-7-3-5-8(2)6-4-7/h6H,1-5H3;7-8H,3-6H2,1-2H3;8H,1,3-6H2,2H3
InChIKeyMPORJCRMVJRQCR-UHFFFAOYSA-N
XLogP8.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.67
LogP ≤ 58.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

bis(1,4-dimethylcyclohexane);1,2,3,5-tetramethylbenzene
CID 158011653
formaldehyde;1,2,3,4,5-pentamethylbenzene
CID 162197138
1,2,4,5-tetramethyl-3-[(4-methylcyclohexyl)methyl]benzene
CID 58224470
(1R)-1-methyl-3-methylidenecyclopentane
CID 58904772
deuterium monohydride;molecular hydrogen;(2,3,4,5-tetramethylphenyl) 4-methylcyclohexane-1-carboxylate
CID 158863010
4,5,7-trimethyl-2-methylidene-1,3-dihydroindene
CID 140827345
1,2,3,4,5-pentamethyl-6-(4-methylcyclohexyl)benzene
CID 58084985
tetrakis(1,4-dimethylcyclohexane);methane;1,4-xylene
CID 158719063
2,3-difluoro-1,5-dimethyl-4-(4-methylcyclohexen-1-yl)benzene;2,3-difluoro-1,5-dimethyl-4-[4-(4-methylcyclohexyl)cyclohexen-1-yl]benzene
CID 167660699
1,2,3,4,5,7,8-heptamethyl-9H-fluorene;bis(1,2,3,4,5,6-hexamethylbenzene);1,2,4,5,7,8-hexamethyl-9H-fluorene;bis(1,2,3,4,5,6,7,8-octamethyl-9H-fluorene);bis(1,2,3,4,5-pentamethylbenzene)
CID 159697118
1,6-dimethyl-3-methylidenecycloheptene
CID 165016233
2,5,6,7,8-pentamethyl-1,2,3,4-tetrahydronaphthalene
CID 22888683

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylcyclohexane;1-methyl-4-methylidenecyclohexane;1,2,3,4,5-pentamethylbenzene?
The IUPAC name of 1,4-dimethylcyclohexane;1-methyl-4-methylidenecyclohexane;1,2,3,4,5-pentamethylbenzene (CID 159634644) is 1,4-dimethylcyclohexane;1-methyl-4-methylidenecyclohexane;1,2,3,4,5-pentamethylbenzene.
What is the SMILES notation for 1,4-dimethylcyclohexane;1-methyl-4-methylidenecyclohexane;1,2,3,4,5-pentamethylbenzene?
The canonical SMILES for 1,4-dimethylcyclohexane;1-methyl-4-methylidenecyclohexane;1,2,3,4,5-pentamethylbenzene is C=C1CCC(C)CC1.CC1CCC(C)CC1.Cc1cc(C)c(C)c(C)c1C.
What is the InChIKey of 1,4-dimethylcyclohexane;1-methyl-4-methylidenecyclohexane;1,2,3,4,5-pentamethylbenzene?
The InChIKey is MPORJCRMVJRQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16.C8H16.C8H14/c1-7-6-8(2)10(4)11(5)9(7)3;2*1-7-3-5-8(2)6-4-7/h6H,1-5H3;7-8H,3-6H2,1-2H3;8H,1,3-6H2,2H3.
What are the key properties of 1,4-dimethylcyclohexane;1-methyl-4-methylidenecyclohexane;1,2,3,4,5-pentamethylbenzene?
1,4-dimethylcyclohexane;1-methyl-4-methylidenecyclohexane;1,2,3,4,5-pentamethylbenzene has a molecular weight of 370.67 g/mol, XLogP of 8.81, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylcyclohexane;1-methyl-4-methylidenecyclohexane;1,2,3,4,5-pentamethylbenzene is sourced from PubChem (CID 159634644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).