1,2,3,4,5-pentamethyl-6-(4-methylcyclohexyl)benzene

C18H28 — CID 58084985

IUPAC1,2,3,4,5-pentamethyl-6-(4-methylcyclohexyl)benzene
SMILESCc1c(C)c(C)c(C2CCC(C)CC2)c(C)c1C
InChIInChI=1S/C18H28/c1-11-7-9-17(10-8-11)18-15(5)13(3)12(2)14(4)16(18)6/h11,17H,7-10H2,1-6H3
InChIKeyIORIZMQVBKIPSI-UHFFFAOYSA-N
MW244.42 g/mol
LogP5.52
Rot. Bonds1

About 1,2,3,4,5-pentamethyl-6-(4-methylcyclohexyl)benzene

1,2,3,4,5-pentamethyl-6-(4-methylcyclohexyl)benzene (PubChem CID 58084985) has the molecular formula C18H28 and a molecular weight of 244.42 g/mol. Its IUPAC name is 1,2,3,4,5-pentamethyl-6-(4-methylcyclohexyl)benzene.

Molecular Properties

Compound Name1,2,3,4,5-pentamethyl-6-(4-methylcyclohexyl)benzene
PubChem CID58084985
Molecular FormulaC18H28
Molecular Weight244.42 g/mol
Exact Mass244.22
IUPAC Name1,2,3,4,5-pentamethyl-6-(4-methylcyclohexyl)benzene
SMILESCc1c(C)c(C)c(C2CCC(C)CC2)c(C)c1C
InChIInChI=1S/C18H28/c1-11-7-9-17(10-8-11)18-15(5)13(3)12(2)14(4)16(18)6/h11,17H,7-10H2,1-6H3
InChIKeyIORIZMQVBKIPSI-UHFFFAOYSA-N
XLogP5.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.42
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5-pentamethyl-6-(4-methylcyclohexyl)benzene?
The IUPAC name of 1,2,3,4,5-pentamethyl-6-(4-methylcyclohexyl)benzene (CID 58084985) is 1,2,3,4,5-pentamethyl-6-(4-methylcyclohexyl)benzene.
What is the SMILES notation for 1,2,3,4,5-pentamethyl-6-(4-methylcyclohexyl)benzene?
The canonical SMILES for 1,2,3,4,5-pentamethyl-6-(4-methylcyclohexyl)benzene is Cc1c(C)c(C)c(C2CCC(C)CC2)c(C)c1C.
What is the InChIKey of 1,2,3,4,5-pentamethyl-6-(4-methylcyclohexyl)benzene?
The InChIKey is IORIZMQVBKIPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28/c1-11-7-9-17(10-8-11)18-15(5)13(3)12(2)14(4)16(18)6/h11,17H,7-10H2,1-6H3.
What are the key properties of 1,2,3,4,5-pentamethyl-6-(4-methylcyclohexyl)benzene?
1,2,3,4,5-pentamethyl-6-(4-methylcyclohexyl)benzene has a molecular weight of 244.42 g/mol, XLogP of 5.52, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5-pentamethyl-6-(4-methylcyclohexyl)benzene is sourced from PubChem (CID 58084985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).