[3-(2-methylpropyl)cyclohexyl]methylbenzene

C17H26 — CID 154060478

IUPAC[3-(2-methylpropyl)cyclohexyl]methylbenzene
SMILESCC(C)CC1CCCC(Cc2ccccc2)C1
InChIInChI=1S/C17H26/c1-14(2)11-16-9-6-10-17(13-16)12-15-7-4-3-5-8-15/h3-5,7-8,14,16-17H,6,9-13H2,1-2H3
InChIKeyZAXHHWVBTPOBNK-UHFFFAOYSA-N
MW230.40 g/mol
LogP5.08
Rot. Bonds4

About [3-(2-methylpropyl)cyclohexyl]methylbenzene

[3-(2-methylpropyl)cyclohexyl]methylbenzene (PubChem CID 154060478) has the molecular formula C17H26 and a molecular weight of 230.40 g/mol. Its IUPAC name is [3-(2-methylpropyl)cyclohexyl]methylbenzene.

Molecular Properties

Compound Name[3-(2-methylpropyl)cyclohexyl]methylbenzene
PubChem CID154060478
Molecular FormulaC17H26
Molecular Weight230.40 g/mol
Exact Mass230.20
IUPAC Name[3-(2-methylpropyl)cyclohexyl]methylbenzene
SMILESCC(C)CC1CCCC(Cc2ccccc2)C1
InChIInChI=1S/C17H26/c1-14(2)11-16-9-6-10-17(13-16)12-15-7-4-3-5-8-15/h3-5,7-8,14,16-17H,6,9-13H2,1-2H3
InChIKeyZAXHHWVBTPOBNK-UHFFFAOYSA-N
XLogP5.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500230.40
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,3-dibenzylcyclooctane
CID 3045388
(3R)-3-benzylcyclohexan-1-amine
CID 168960646
butane;cyclopentylmethylbenzene
CID 143522605
cyclopentylmethylbenzene;formamide
CID 174870384
N-[3-(2-methylpropyl)cyclohexyl]-2,3-dihydro-1H-inden-2-amine
CID 107849963
(1S)-1-methyl-3-(2-methylpropyl)cyclohexane
CID 140722932
cyclopropylmethylbenzene;ethane;methane
CID 142248267
1-(cyclononylmethyl)-6-methylcyclodeca-1,3,5,7,9-pentaene
CID 91363627
4-benzyl-1-(3-methylbutyl)piperidine
CID 59512021
N-[(3-fluorophenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine
CID 107428036
5-benzyl-2-methylcyclohexan-1-ol
CID 174712973
4-benzyl-1-propan-2-ylpiperidine
CID 22959492

Frequently Asked Questions

What is the IUPAC name of [3-(2-methylpropyl)cyclohexyl]methylbenzene?
The IUPAC name of [3-(2-methylpropyl)cyclohexyl]methylbenzene (CID 154060478) is [3-(2-methylpropyl)cyclohexyl]methylbenzene.
What is the SMILES notation for [3-(2-methylpropyl)cyclohexyl]methylbenzene?
The canonical SMILES for [3-(2-methylpropyl)cyclohexyl]methylbenzene is CC(C)CC1CCCC(Cc2ccccc2)C1.
What is the InChIKey of [3-(2-methylpropyl)cyclohexyl]methylbenzene?
The InChIKey is ZAXHHWVBTPOBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26/c1-14(2)11-16-9-6-10-17(13-16)12-15-7-4-3-5-8-15/h3-5,7-8,14,16-17H,6,9-13H2,1-2H3.
What are the key properties of [3-(2-methylpropyl)cyclohexyl]methylbenzene?
[3-(2-methylpropyl)cyclohexyl]methylbenzene has a molecular weight of 230.40 g/mol, XLogP of 5.08, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methylpropyl)cyclohexyl]methylbenzene is sourced from PubChem (CID 154060478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).