(2-benzyl-1-tert-butylcyclopentyl)methylbenzene

C23H30 — CID 173322340

IUPAC(2-benzyl-1-tert-butylcyclopentyl)methylbenzene
SMILESCC(C)(C)C1(Cc2ccccc2)CCCC1Cc1ccccc1
InChIInChI=1S/C23H30/c1-22(2,3)23(18-20-13-8-5-9-14-20)16-10-15-21(23)17-19-11-6-4-7-12-19/h4-9,11-14,21H,10,15-18H2,1-3H3
InChIKeyKAMOGWLDTCLHML-UHFFFAOYSA-N
MW306.49 g/mol
LogP6.30
Rot. Bonds4

About (2-benzyl-1-tert-butylcyclopentyl)methylbenzene

(2-benzyl-1-tert-butylcyclopentyl)methylbenzene (PubChem CID 173322340) has the molecular formula C23H30 and a molecular weight of 306.49 g/mol. Its IUPAC name is (2-benzyl-1-tert-butylcyclopentyl)methylbenzene.

Molecular Properties

Compound Name(2-benzyl-1-tert-butylcyclopentyl)methylbenzene
PubChem CID173322340
Molecular FormulaC23H30
Molecular Weight306.49 g/mol
Exact Mass306.23
IUPAC Name(2-benzyl-1-tert-butylcyclopentyl)methylbenzene
SMILESCC(C)(C)C1(Cc2ccccc2)CCCC1Cc1ccccc1
InChIInChI=1S/C23H30/c1-22(2,3)23(18-20-13-8-5-9-14-20)16-10-15-21(23)17-19-11-6-4-7-12-19/h4-9,11-14,21H,10,15-18H2,1-3H3
InChIKeyKAMOGWLDTCLHML-UHFFFAOYSA-N
XLogP6.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.49
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

[(2R)-2-benzyl-1-ethylcyclopentyl]-diphenylphosphane
CID 138723539
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1-benzyl-2,3-dimethylcyclohexan-1-ol
CID 64754174
[2-(2-benzyl-1-ethenylcyclohexyl)oxy-2-ethenylcyclohexyl]methylbenzene
CID 156540486
4-benzyl-6,9-diazaspiro[4.5]decan-7-one
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1-benzyl-N-tert-butylcyclopropan-1-amine
CID 143056256
5-benzyl-10,11-dimethyl-3-azaspiro[5.5]undecane
CID 79320491
3-N,1-dibenzylcyclohexane-1,2,3-triamine
CID 154406602
N-[(1-benzylcyclobutyl)methyl]-2-methylpropan-2-amine
CID 65194402
4-(1-benzylcyclobutyl)piperidine
CID 83911456
2-benzyl-1-tert-butylpyrrolidine
CID 44597926
cyclopropylmethylbenzene;ethane;methane
CID 142248267

Frequently Asked Questions

What is the IUPAC name of (2-benzyl-1-tert-butylcyclopentyl)methylbenzene?
The IUPAC name of (2-benzyl-1-tert-butylcyclopentyl)methylbenzene (CID 173322340) is (2-benzyl-1-tert-butylcyclopentyl)methylbenzene.
What is the SMILES notation for (2-benzyl-1-tert-butylcyclopentyl)methylbenzene?
The canonical SMILES for (2-benzyl-1-tert-butylcyclopentyl)methylbenzene is CC(C)(C)C1(Cc2ccccc2)CCCC1Cc1ccccc1.
What is the InChIKey of (2-benzyl-1-tert-butylcyclopentyl)methylbenzene?
The InChIKey is KAMOGWLDTCLHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30/c1-22(2,3)23(18-20-13-8-5-9-14-20)16-10-15-21(23)17-19-11-6-4-7-12-19/h4-9,11-14,21H,10,15-18H2,1-3H3.
What are the key properties of (2-benzyl-1-tert-butylcyclopentyl)methylbenzene?
(2-benzyl-1-tert-butylcyclopentyl)methylbenzene has a molecular weight of 306.49 g/mol, XLogP of 6.30, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzyl-1-tert-butylcyclopentyl)methylbenzene is sourced from PubChem (CID 173322340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).