1-methyl-4-(4-methylnonyl)benzene

C17H28 — CID 59776274

IUPAC1-methyl-4-(4-methylnonyl)benzene
SMILESCCCCCC(C)CCCc1ccc(C)cc1
InChIInChI=1S/C17H28/c1-4-5-6-8-15(2)9-7-10-17-13-11-16(3)12-14-17/h11-15H,4-10H2,1-3H3
InChIKeyPYOLDCWAVPRXIH-UHFFFAOYSA-N
MW232.41 g/mol
LogP5.53
Rot. Bonds8

About 1-methyl-4-(4-methylnonyl)benzene

1-methyl-4-(4-methylnonyl)benzene (PubChem CID 59776274) has the molecular formula C17H28 and a molecular weight of 232.41 g/mol. Its IUPAC name is 1-methyl-4-(4-methylnonyl)benzene.

Molecular Properties

Compound Name1-methyl-4-(4-methylnonyl)benzene
PubChem CID59776274
Molecular FormulaC17H28
Molecular Weight232.41 g/mol
Exact Mass232.22
IUPAC Name1-methyl-4-(4-methylnonyl)benzene
SMILESCCCCCC(C)CCCc1ccc(C)cc1
InChIInChI=1S/C17H28/c1-4-5-6-8-15(2)9-7-10-17-13-11-16(3)12-14-17/h11-15H,4-10H2,1-3H3
InChIKeyPYOLDCWAVPRXIH-UHFFFAOYSA-N
XLogP5.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500232.41
LogP ≤ 55.53
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

butane;3-methyloctane;1,4-xylene
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1-methyl-4-octylbenzene
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1-(4-methylphenyl)decan-3-amine
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1-methyl-4-(5-methylundecan-2-yl)benzene
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1-(4-methylphenyl)dodecan-3-ol
CID 105084894
1-(8-methylnonyl)-4-pentylbenzene
CID 158864216
1-(6-methylheptyl)-4-pentylbenzene
CID 158425503
carbon dioxide;1-methyl-4-pentylbenzene
CID 161302666
1-(4-chloroheptyl)-4-methylbenzene
CID 64516629
1-butyl-4-methylbenzene;N-methylmethanamine
CID 143818952
1,4-diethylbenzene;bis(1-ethyl-4-methylbenzene);1-ethyl-4-propylbenzene;bis(1-methyl-4-pentylbenzene);1,4-xylene
CID 165022765

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(4-methylnonyl)benzene?
The IUPAC name of 1-methyl-4-(4-methylnonyl)benzene (CID 59776274) is 1-methyl-4-(4-methylnonyl)benzene.
What is the SMILES notation for 1-methyl-4-(4-methylnonyl)benzene?
The canonical SMILES for 1-methyl-4-(4-methylnonyl)benzene is CCCCCC(C)CCCc1ccc(C)cc1.
What is the InChIKey of 1-methyl-4-(4-methylnonyl)benzene?
The InChIKey is PYOLDCWAVPRXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28/c1-4-5-6-8-15(2)9-7-10-17-13-11-16(3)12-14-17/h11-15H,4-10H2,1-3H3.
What are the key properties of 1-methyl-4-(4-methylnonyl)benzene?
1-methyl-4-(4-methylnonyl)benzene has a molecular weight of 232.41 g/mol, XLogP of 5.53, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(4-methylnonyl)benzene is sourced from PubChem (CID 59776274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).