1-methyl-4-[(1,2,5-trimethylcyclohexyl)methyl]benzene

C17H26 — CID 162287885

IUPAC1-methyl-4-[(1,2,5-trimethylcyclohexyl)methyl]benzene
SMILESCc1ccc(CC2(C)CC(C)CCC2C)cc1
InChIInChI=1S/C17H26/c1-13-6-9-16(10-7-13)12-17(4)11-14(2)5-8-15(17)3/h6-7,9-10,14-15H,5,8,11-12H2,1-4H3
InChIKeyBEDCXAINZYXOKD-UHFFFAOYSA-N
MW230.40 g/mol
LogP5.00
Rot. Bonds2

About 1-methyl-4-[(1,2,5-trimethylcyclohexyl)methyl]benzene

1-methyl-4-[(1,2,5-trimethylcyclohexyl)methyl]benzene (PubChem CID 162287885) has the molecular formula C17H26 and a molecular weight of 230.40 g/mol. Its IUPAC name is 1-methyl-4-[(1,2,5-trimethylcyclohexyl)methyl]benzene.

Molecular Properties

Compound Name1-methyl-4-[(1,2,5-trimethylcyclohexyl)methyl]benzene
PubChem CID162287885
Molecular FormulaC17H26
Molecular Weight230.40 g/mol
Exact Mass230.20
IUPAC Name1-methyl-4-[(1,2,5-trimethylcyclohexyl)methyl]benzene
SMILESCc1ccc(CC2(C)CC(C)CCC2C)cc1
InChIInChI=1S/C17H26/c1-13-6-9-16(10-7-13)12-17(4)11-14(2)5-8-15(17)3/h6-7,9-10,14-15H,5,8,11-12H2,1-4H3
InChIKeyBEDCXAINZYXOKD-UHFFFAOYSA-N
XLogP5.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-ethyl-1,2,5-trimethylcyclohexane
CID 123642131
1-[(4-bromophenyl)methyl]-2,5-dimethylcyclohexan-1-amine
CID 64774368
tetrakis(1,4-dimethylcyclohexane);methane;1,4-xylene
CID 158719063
1-[(3,4-dimethylphenyl)methyl]-2,5-dimethylcyclohexan-1-amine
CID 64763177
N-[1-(aminomethyl)-2,5-dimethylcyclohexyl]-4-methylaniline
CID 65377125
1-[(3,5-dimethylphenyl)methyl]-2,5-dimethylcyclohexan-1-amine
CID 64776822
ethane;1-[(4-methylphenyl)methyl]bicyclo[2.2.1]hept-2-ene
CID 143799538
3-methoxy-1-[(4-methylphenyl)methyl]cyclobutan-1-ol
CID 106823825
tetrakis(1,4-dimethylcyclohexane);methane;molecular hydrogen;bis(1,4-xylene)
CID 160768491
1-[(2-chloro-4-methylphenyl)methyl]-2,5-dimethylcyclohexan-1-amine
CID 106866820
1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethyl]benzene
CID 20579999
2,4,4-trimethyl-N-[(4-methylphenyl)methyl]cyclohexan-1-amine
CID 81321644

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(1,2,5-trimethylcyclohexyl)methyl]benzene?
The IUPAC name of 1-methyl-4-[(1,2,5-trimethylcyclohexyl)methyl]benzene (CID 162287885) is 1-methyl-4-[(1,2,5-trimethylcyclohexyl)methyl]benzene.
What is the SMILES notation for 1-methyl-4-[(1,2,5-trimethylcyclohexyl)methyl]benzene?
The canonical SMILES for 1-methyl-4-[(1,2,5-trimethylcyclohexyl)methyl]benzene is Cc1ccc(CC2(C)CC(C)CCC2C)cc1.
What is the InChIKey of 1-methyl-4-[(1,2,5-trimethylcyclohexyl)methyl]benzene?
The InChIKey is BEDCXAINZYXOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26/c1-13-6-9-16(10-7-13)12-17(4)11-14(2)5-8-15(17)3/h6-7,9-10,14-15H,5,8,11-12H2,1-4H3.
What are the key properties of 1-methyl-4-[(1,2,5-trimethylcyclohexyl)methyl]benzene?
1-methyl-4-[(1,2,5-trimethylcyclohexyl)methyl]benzene has a molecular weight of 230.40 g/mol, XLogP of 5.00, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(1,2,5-trimethylcyclohexyl)methyl]benzene is sourced from PubChem (CID 162287885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).