1-(2-methylpropyl)-4-pentylbenzene

C15H24 — CID 57045392

IUPAC1-(2-methylpropyl)-4-pentylbenzene
SMILESCCCCCc1ccc(CC(C)C)cc1
InChIInChI=1S/C15H24/c1-4-5-6-7-14-8-10-15(11-9-14)12-13(2)3/h8-11,13H,4-7,12H2,1-3H3
InChIKeyUWHDGDQGVHWYCM-UHFFFAOYSA-N
MW204.36 g/mol
LogP4.62
Rot. Bonds6

About 1-(2-methylpropyl)-4-pentylbenzene

1-(2-methylpropyl)-4-pentylbenzene (PubChem CID 57045392) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is 1-(2-methylpropyl)-4-pentylbenzene.

Molecular Properties

Compound Name1-(2-methylpropyl)-4-pentylbenzene
PubChem CID57045392
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name1-(2-methylpropyl)-4-pentylbenzene
SMILESCCCCCc1ccc(CC(C)C)cc1
InChIInChI=1S/C15H24/c1-4-5-6-7-14-8-10-15(11-9-14)12-13(2)3/h8-11,13H,4-7,12H2,1-3H3
InChIKeyUWHDGDQGVHWYCM-UHFFFAOYSA-N
XLogP4.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.36
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(8-methylnonyl)-4-pentylbenzene
CID 158864216
1-(6-methylheptyl)-4-pentylbenzene
CID 158425503
1-(6-methylheptyl)-4-(2-methylpropyl)benzene
CID 140836779
1-butyl-4-nonylbenzene
CID 59545302
(4-heptylphenyl)borane
CID 123446258
(2S)-2-amino-3-(4-hexylphenyl)propan-1-ol
CID 66563404
1-decoxy-4-(2-methylpropyl)benzene
CID 58996843
1-ethyl-4-octacosylbenzene
CID 175218304
1-octyl-4-(4-octylphenyl)benzene
CID 22766415
methane;2-methylpropylbenzene;pentane
CID 162015938
1-butyl-4-propan-2-ylbenzene;hexane
CID 142937575
(1S)-1-(4-hexylphenyl)ethanamine
CID 25324494

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-4-pentylbenzene?
The IUPAC name of 1-(2-methylpropyl)-4-pentylbenzene (CID 57045392) is 1-(2-methylpropyl)-4-pentylbenzene.
What is the SMILES notation for 1-(2-methylpropyl)-4-pentylbenzene?
The canonical SMILES for 1-(2-methylpropyl)-4-pentylbenzene is CCCCCc1ccc(CC(C)C)cc1.
What is the InChIKey of 1-(2-methylpropyl)-4-pentylbenzene?
The InChIKey is UWHDGDQGVHWYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24/c1-4-5-6-7-14-8-10-15(11-9-14)12-13(2)3/h8-11,13H,4-7,12H2,1-3H3.
What are the key properties of 1-(2-methylpropyl)-4-pentylbenzene?
1-(2-methylpropyl)-4-pentylbenzene has a molecular weight of 204.36 g/mol, XLogP of 4.62, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-4-pentylbenzene is sourced from PubChem (CID 57045392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).