1-methyl-2-pentyl-3-propan-2-ylbenzene

C15H24 — CID 173336481

IUPAC1-methyl-2-pentyl-3-propan-2-ylbenzene
SMILESCCCCCc1c(C)cccc1C(C)C
InChIInChI=1S/C15H24/c1-5-6-7-10-15-13(4)9-8-11-14(15)12(2)3/h8-9,11-12H,5-7,10H2,1-4H3
InChIKeyHVVRZZPIHMSEBX-UHFFFAOYSA-N
MW204.36 g/mol
LogP4.85
Rot. Bonds5

About 1-methyl-2-pentyl-3-propan-2-ylbenzene

1-methyl-2-pentyl-3-propan-2-ylbenzene (PubChem CID 173336481) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is 1-methyl-2-pentyl-3-propan-2-ylbenzene.

Molecular Properties

Compound Name1-methyl-2-pentyl-3-propan-2-ylbenzene
PubChem CID173336481
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name1-methyl-2-pentyl-3-propan-2-ylbenzene
SMILESCCCCCc1c(C)cccc1C(C)C
InChIInChI=1S/C15H24/c1-5-6-7-10-15-13(4)9-8-11-14(15)12(2)3/h8-9,11-12H,5-7,10H2,1-4H3
InChIKeyHVVRZZPIHMSEBX-UHFFFAOYSA-N
XLogP4.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.36
LogP ≤ 54.85
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-fluoro-2-pentyl-3-propan-2-ylbenzene
CID 173336304
1-chloro-2-pentyl-3-propan-2-ylbenzene
CID 173336336
1-ethyl-2-hexyl-3-propan-2-ylbenzene
CID 141013898
2-butyl-1-propan-2-yl-3-propylbenzene
CID 173336292
1-methyl-3-[1-(3-methyl-2-propylphenyl)ethyl]-2-propylbenzene
CID 54553912
2-hexyl-3-methylphenol
CID 28322
1,2-dihexyl-3-methylbenzene
CID 15920121
1-pentadecyl-2-propan-2-ylbenzene;sulfane
CID 174904763
2-[5-(2,6-dimethylphenyl)pentyl]-1,3-dimethylbenzene
CID 22921267
2-butyl-3-methylphenol
CID 174788119
N-ethyl-N-[2-(2-methyl-6-propan-2-ylphenyl)ethyl]prop-2-yn-1-amine
CID 143265569
1,2-dibutyl-3-dodecylbenzene
CID 91050964

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-pentyl-3-propan-2-ylbenzene?
The IUPAC name of 1-methyl-2-pentyl-3-propan-2-ylbenzene (CID 173336481) is 1-methyl-2-pentyl-3-propan-2-ylbenzene.
What is the SMILES notation for 1-methyl-2-pentyl-3-propan-2-ylbenzene?
The canonical SMILES for 1-methyl-2-pentyl-3-propan-2-ylbenzene is CCCCCc1c(C)cccc1C(C)C.
What is the InChIKey of 1-methyl-2-pentyl-3-propan-2-ylbenzene?
The InChIKey is HVVRZZPIHMSEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24/c1-5-6-7-10-15-13(4)9-8-11-14(15)12(2)3/h8-9,11-12H,5-7,10H2,1-4H3.
What are the key properties of 1-methyl-2-pentyl-3-propan-2-ylbenzene?
1-methyl-2-pentyl-3-propan-2-ylbenzene has a molecular weight of 204.36 g/mol, XLogP of 4.85, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-pentyl-3-propan-2-ylbenzene is sourced from PubChem (CID 173336481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).