1-[(2-methylcyclohexyl)methyl]-2-propan-2-ylbenzene

C17H26 — CID 143070757

IUPAC1-[(2-methylcyclohexyl)methyl]-2-propan-2-ylbenzene
SMILESCC(C)c1ccccc1CC1CCCCC1C
InChIInChI=1S/C17H26/c1-13(2)17-11-7-6-10-16(17)12-15-9-5-4-8-14(15)3/h6-7,10-11,13-15H,4-5,8-9,12H2,1-3H3
InChIKeyVGBVJHOLBJQUEX-UHFFFAOYSA-N
MW230.40 g/mol
LogP5.18
Rot. Bonds3

About 1-[(2-methylcyclohexyl)methyl]-2-propan-2-ylbenzene

1-[(2-methylcyclohexyl)methyl]-2-propan-2-ylbenzene (PubChem CID 143070757) has the molecular formula C17H26 and a molecular weight of 230.40 g/mol. Its IUPAC name is 1-[(2-methylcyclohexyl)methyl]-2-propan-2-ylbenzene.

Molecular Properties

Compound Name1-[(2-methylcyclohexyl)methyl]-2-propan-2-ylbenzene
PubChem CID143070757
Molecular FormulaC17H26
Molecular Weight230.40 g/mol
Exact Mass230.20
IUPAC Name1-[(2-methylcyclohexyl)methyl]-2-propan-2-ylbenzene
SMILESCC(C)c1ccccc1CC1CCCCC1C
InChIInChI=1S/C17H26/c1-13(2)17-11-7-6-10-16(17)12-15-9-5-4-8-14(15)3/h6-7,10-11,13-15H,4-5,8-9,12H2,1-3H3
InChIKeyVGBVJHOLBJQUEX-UHFFFAOYSA-N
XLogP5.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500230.40
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylcyclohexyl)methyl]-2-propan-2-ylbenzene?
The IUPAC name of 1-[(2-methylcyclohexyl)methyl]-2-propan-2-ylbenzene (CID 143070757) is 1-[(2-methylcyclohexyl)methyl]-2-propan-2-ylbenzene.
What is the SMILES notation for 1-[(2-methylcyclohexyl)methyl]-2-propan-2-ylbenzene?
The canonical SMILES for 1-[(2-methylcyclohexyl)methyl]-2-propan-2-ylbenzene is CC(C)c1ccccc1CC1CCCCC1C.
What is the InChIKey of 1-[(2-methylcyclohexyl)methyl]-2-propan-2-ylbenzene?
The InChIKey is VGBVJHOLBJQUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26/c1-13(2)17-11-7-6-10-16(17)12-15-9-5-4-8-14(15)3/h6-7,10-11,13-15H,4-5,8-9,12H2,1-3H3.
What are the key properties of 1-[(2-methylcyclohexyl)methyl]-2-propan-2-ylbenzene?
1-[(2-methylcyclohexyl)methyl]-2-propan-2-ylbenzene has a molecular weight of 230.40 g/mol, XLogP of 5.18, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylcyclohexyl)methyl]-2-propan-2-ylbenzene is sourced from PubChem (CID 143070757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).