1-tert-butyl-4-(3-methylcyclopentyl)benzene

C16H24 — CID 21137198

IUPAC1-tert-butyl-4-(3-methylcyclopentyl)benzene
SMILESCC1CCC(c2ccc(C(C)(C)C)cc2)C1
InChIInChI=1S/C16H24/c1-12-5-6-14(11-12)13-7-9-15(10-8-13)16(2,3)4/h7-10,12,14H,5-6,11H2,1-4H3
InChIKeyBCBBOTOCSLDJCF-UHFFFAOYSA-N
MW216.37 g/mol
LogP4.89
Rot. Bonds1

About 1-tert-butyl-4-(3-methylcyclopentyl)benzene

1-tert-butyl-4-(3-methylcyclopentyl)benzene (PubChem CID 21137198) has the molecular formula C16H24 and a molecular weight of 216.37 g/mol. Its IUPAC name is 1-tert-butyl-4-(3-methylcyclopentyl)benzene.

Molecular Properties

Compound Name1-tert-butyl-4-(3-methylcyclopentyl)benzene
PubChem CID21137198
Molecular FormulaC16H24
Molecular Weight216.37 g/mol
Exact Mass216.19
IUPAC Name1-tert-butyl-4-(3-methylcyclopentyl)benzene
SMILESCC1CCC(c2ccc(C(C)(C)C)cc2)C1
InChIInChI=1S/C16H24/c1-12-5-6-14(11-12)13-7-9-15(10-8-13)16(2,3)4/h7-10,12,14H,5-6,11H2,1-4H3
InChIKeyBCBBOTOCSLDJCF-UHFFFAOYSA-N
XLogP4.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-[4-(4-methylcyclohexyl)phenyl]propan-2-amine
CID 117335176
1-tert-butyl-4-[3-(4-propan-2-ylphenyl)cyclopentyl]benzene
CID 58371806
2-[4-(4-methylcyclohexyl)phenyl]propan-2-ol
CID 117336939
4-(4-tert-butylphenyl)cyclohexan-1-ol
CID 116963195
(3-methylcyclopentyl)benzene;propane
CID 142973096
difluoro-[4-(4-methylcyclohexyl)phenyl]methanol
CID 70852484
1-(4-cyclopropylphenyl)ethane-1,1-diol
CID 91219710
2-(4-chlorophenyl)-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22384197
1-tert-butyl-4-(4-methylidenecyclohexyl)benzene
CID 90948712
N-[(4-tert-butylphenyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 63994093
4-tert-butyl-N-(2,4-dimethylcyclohexyl)aniline
CID 64776351
2-(4-tert-butylphenyl)cyclopropan-1-ol
CID 142590960

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(3-methylcyclopentyl)benzene?
The IUPAC name of 1-tert-butyl-4-(3-methylcyclopentyl)benzene (CID 21137198) is 1-tert-butyl-4-(3-methylcyclopentyl)benzene.
What is the SMILES notation for 1-tert-butyl-4-(3-methylcyclopentyl)benzene?
The canonical SMILES for 1-tert-butyl-4-(3-methylcyclopentyl)benzene is CC1CCC(c2ccc(C(C)(C)C)cc2)C1.
What is the InChIKey of 1-tert-butyl-4-(3-methylcyclopentyl)benzene?
The InChIKey is BCBBOTOCSLDJCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24/c1-12-5-6-14(11-12)13-7-9-15(10-8-13)16(2,3)4/h7-10,12,14H,5-6,11H2,1-4H3.
What are the key properties of 1-tert-butyl-4-(3-methylcyclopentyl)benzene?
1-tert-butyl-4-(3-methylcyclopentyl)benzene has a molecular weight of 216.37 g/mol, XLogP of 4.89, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(3-methylcyclopentyl)benzene is sourced from PubChem (CID 21137198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).