5-methylheptylbenzene

C14H22 — CID 564254

IUPAC5-methylheptylbenzene
SMILESCCC(C)CCCCc1ccccc1
InChIInChI=1S/C14H22/c1-3-13(2)9-7-8-12-14-10-5-4-6-11-14/h4-6,10-11,13H,3,7-9,12H2,1-2H3
InChIKeyUPVOVYXEOKLFQE-UHFFFAOYSA-N
MW190.33 g/mol
LogP4.45
Rot. Bonds6

About 5-methylheptylbenzene

5-methylheptylbenzene (PubChem CID 564254) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is 5-methylheptylbenzene.

Molecular Properties

Compound Name5-methylheptylbenzene
PubChem CID564254
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Name5-methylheptylbenzene
SMILESCCC(C)CCCCc1ccccc1
InChIInChI=1S/C14H22/c1-3-13(2)9-7-8-12-14-10-5-4-6-11-14/h4-6,10-11,13H,3,7-9,12H2,1-2H3
InChIKeyUPVOVYXEOKLFQE-UHFFFAOYSA-N
XLogP4.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 54.45
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

1,4-bis(4-methylhexyl)benzene
CID 145016441
4-methyl-8-phenyloctan-3-ol
CID 114334468
2-(3-methylpentylsulfanyl)ethylbenzene
CID 153445059
6-phenylhexan-2-ylbenzene
CID 19704587
4-phenylbutylbenzene
CID 141301927
2-methyl-7-phenylheptan-3-ol
CID 10976646
2-methyl-N-(4-phenylbutyl)butan-1-amine
CID 115887248
1-bromo-4-[(2R)-2-methyl-6-phenylhexyl]benzene;hydrochloride
CID 160507683
1,1-dichloroethane;pentylbenzene
CID 158559289
4-methyl-7-phenylheptan-2-ol
CID 64718783
6-phenyl-N-propylhexan-2-amine
CID 61485022
hafnium;4-phenylbutylbenzene
CID 175889972

Frequently Asked Questions

What is the IUPAC name of 5-methylheptylbenzene?
The IUPAC name of 5-methylheptylbenzene (CID 564254) is 5-methylheptylbenzene.
What is the SMILES notation for 5-methylheptylbenzene?
The canonical SMILES for 5-methylheptylbenzene is CCC(C)CCCCc1ccccc1.
What is the InChIKey of 5-methylheptylbenzene?
The InChIKey is UPVOVYXEOKLFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22/c1-3-13(2)9-7-8-12-14-10-5-4-6-11-14/h4-6,10-11,13H,3,7-9,12H2,1-2H3.
What are the key properties of 5-methylheptylbenzene?
5-methylheptylbenzene has a molecular weight of 190.33 g/mol, XLogP of 4.45, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylheptylbenzene is sourced from PubChem (CID 564254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).