pentylbenzene

C11H16 — CID 10864

IUPACpentylbenzene
SMILESCCCCCc1ccccc1
InChIInChI=1S/C11H16/c1-2-3-5-8-11-9-6-4-7-10-11/h4,6-7,9-10H,2-3,5,8H2,1H3
InChIKeyPWATWSYOIIXYMA-UHFFFAOYSA-N
MW148.25 g/mol
LogP3.42
Rot. Bonds4

About pentylbenzene

pentylbenzene (PubChem CID 10864) has the molecular formula C11H16 and a molecular weight of 148.25 g/mol. Its IUPAC name is pentylbenzene.

Molecular Properties

Compound Namepentylbenzene
PubChem CID10864
Molecular FormulaC11H16
Molecular Weight148.25 g/mol
Exact Mass148.13
IUPAC Namepentylbenzene
SMILESCCCCCc1ccccc1
InChIInChI=1S/C11H16/c1-2-3-5-8-11-9-6-4-7-10-11/h4,6-7,9-10H,2-3,5,8H2,1H3
InChIKeyPWATWSYOIIXYMA-UHFFFAOYSA-N
XLogP3.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.25
LogP ≤ 53.42
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

Biphenyl
CID 7095
Toluene
CID 1140
O-Xylene
CID 7237
Alpha-Methylstyrene
CID 7407
Ethylbenzene
CID 7500
Styrene
CID 7501
M-Xylene
CID 7929
P-Xylene
CID 7809
P-Cymene
CID 7463
Indene
CID 7219
1,2,4-Trimethylbenzene
CID 7247
Cumene
CID 7406

Frequently Asked Questions

What is the IUPAC name of pentylbenzene?
The IUPAC name of pentylbenzene (CID 10864) is pentylbenzene.
What is the SMILES notation for pentylbenzene?
The canonical SMILES for pentylbenzene is CCCCCc1ccccc1.
What is the InChIKey of pentylbenzene?
The InChIKey is PWATWSYOIIXYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16/c1-2-3-5-8-11-9-6-4-7-10-11/h4,6-7,9-10H,2-3,5,8H2,1H3.
What are the key properties of pentylbenzene?
pentylbenzene has a molecular weight of 148.25 g/mol, XLogP of 3.42, 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 10864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).