pentylbenzene

C11H15- — CID 91255123

IUPACpentylbenzene
SMILES[CH2-]CCCCc1ccccc1
InChIInChI=1S/C11H15/c1-2-3-5-8-11-9-6-4-7-10-11/h4,6-7,9-10H,1-3,5,8H2/q-1
InChIKeyYSRAWGLHUQYXHU-UHFFFAOYSA-N
MW147.24 g/mol
LogP3.23
Rot. Bonds4

About pentylbenzene

pentylbenzene (PubChem CID 91255123) has the molecular formula C11H15- and a molecular weight of 147.24 g/mol. Its IUPAC name is pentylbenzene.

Molecular Properties

Compound Namepentylbenzene
PubChem CID91255123
Molecular FormulaC11H15-
Molecular Weight147.24 g/mol
Exact Mass147.12
IUPAC Namepentylbenzene
SMILES[CH2-]CCCCc1ccccc1
InChIInChI=1S/C11H15/c1-2-3-5-8-11-9-6-4-7-10-11/h4,6-7,9-10H,1-3,5,8H2/q-1
InChIKeyYSRAWGLHUQYXHU-UHFFFAOYSA-N
XLogP3.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.24
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

heptylbenzene
CID 91456779
butylbenzene
CID 91440396
zinc butylbenzene
CID 563257
4-phenylbutylbenzene
CID 141301927
methane;4-phenylbutylbenzene
CID 173386802
hafnium;4-phenylbutylbenzene
CID 175889972
CID 59758261
CID 59758261
1,4-bis(3-phenylpropyl)benzene
CID 59467322
CID 159131095
CID 159131095
benzene;2-phenylethylbenzene
CID 18982764
pentadecane;pentadecylbenzene
CID 174970881
octacosylbenzene
CID 14228596

Frequently Asked Questions

What is the IUPAC name of pentylbenzene?
The IUPAC name of pentylbenzene (CID 91255123) is pentylbenzene.
What is the SMILES notation for pentylbenzene?
The canonical SMILES for pentylbenzene is [CH2-]CCCCc1ccccc1.
What is the InChIKey of pentylbenzene?
The InChIKey is YSRAWGLHUQYXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15/c1-2-3-5-8-11-9-6-4-7-10-11/h4,6-7,9-10H,1-3,5,8H2/q-1.
What are the key properties of pentylbenzene?
pentylbenzene has a molecular weight of 147.24 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pentylbenzene is sourced from PubChem (CID 91255123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).