1-methyl-2-(7-methylnonan-4-yl)benzene

C17H28 — CID 143620943

IUPAC1-methyl-2-(7-methylnonan-4-yl)benzene
SMILESCCCC(CCC(C)CC)c1ccccc1C
InChIInChI=1S/C17H28/c1-5-9-16(13-12-14(3)6-2)17-11-8-7-10-15(17)4/h7-8,10-11,14,16H,5-6,9,12-13H2,1-4H3
InChIKeyXBQNCRQRTSPZJS-UHFFFAOYSA-N
MW232.41 g/mol
LogP5.71
Rot. Bonds7

About 1-methyl-2-(7-methylnonan-4-yl)benzene

1-methyl-2-(7-methylnonan-4-yl)benzene (PubChem CID 143620943) has the molecular formula C17H28 and a molecular weight of 232.41 g/mol. Its IUPAC name is 1-methyl-2-(7-methylnonan-4-yl)benzene.

Molecular Properties

Compound Name1-methyl-2-(7-methylnonan-4-yl)benzene
PubChem CID143620943
Molecular FormulaC17H28
Molecular Weight232.41 g/mol
Exact Mass232.22
IUPAC Name1-methyl-2-(7-methylnonan-4-yl)benzene
SMILESCCCC(CCC(C)CC)c1ccccc1C
InChIInChI=1S/C17H28/c1-5-9-16(13-12-14(3)6-2)17-11-8-7-10-15(17)4/h7-8,10-11,14,16H,5-6,9,12-13H2,1-4H3
InChIKeyXBQNCRQRTSPZJS-UHFFFAOYSA-N
XLogP5.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500232.41
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(7-methylnonan-4-yl)benzaldehyde
CID 143620892
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1-decan-3-yl-2-methylbenzene
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1-(1-bromo-5-methylhexan-2-yl)-2-methylbenzene
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N-[1-(2-methylphenyl)ethyl]hexan-3-amine
CID 62117976
1-methyl-2-(3-methylpentan-2-yl)benzene
CID 23555669
1-(2-methylphenyl)-2-methylsulfonylbutan-1-ol
CID 102550150
(4R)-4-(2-methylphenyl)hexanal
CID 102442403
3-methyl-2-(2-methylphenyl)hexan-1-amine
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2-(2-methylphenyl)-N-(2-methylpropyl)hexan-1-amine
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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(7-methylnonan-4-yl)benzene?
The IUPAC name of 1-methyl-2-(7-methylnonan-4-yl)benzene (CID 143620943) is 1-methyl-2-(7-methylnonan-4-yl)benzene.
What is the SMILES notation for 1-methyl-2-(7-methylnonan-4-yl)benzene?
The canonical SMILES for 1-methyl-2-(7-methylnonan-4-yl)benzene is CCCC(CCC(C)CC)c1ccccc1C.
What is the InChIKey of 1-methyl-2-(7-methylnonan-4-yl)benzene?
The InChIKey is XBQNCRQRTSPZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28/c1-5-9-16(13-12-14(3)6-2)17-11-8-7-10-15(17)4/h7-8,10-11,14,16H,5-6,9,12-13H2,1-4H3.
What are the key properties of 1-methyl-2-(7-methylnonan-4-yl)benzene?
1-methyl-2-(7-methylnonan-4-yl)benzene has a molecular weight of 232.41 g/mol, XLogP of 5.71, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(7-methylnonan-4-yl)benzene is sourced from PubChem (CID 143620943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).