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

C17H28 — CID 173398829

IUPAC1-methyl-2-(2-methylnonan-2-yl)benzene
SMILESCCCCCCCC(C)(C)c1ccccc1C
InChIInChI=1S/C17H28/c1-5-6-7-8-11-14-17(3,4)16-13-10-9-12-15(16)2/h9-10,12-13H,5-8,11,14H2,1-4H3
InChIKeyOZKRCKGQFGPZSR-UHFFFAOYSA-N
MW232.41 g/mol
LogP5.63
Rot. Bonds7

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

1-methyl-2-(2-methylnonan-2-yl)benzene (PubChem CID 173398829) has the molecular formula C17H28 and a molecular weight of 232.41 g/mol. Its IUPAC name is 1-methyl-2-(2-methylnonan-2-yl)benzene.

Molecular Properties

Compound Name1-methyl-2-(2-methylnonan-2-yl)benzene
PubChem CID173398829
Molecular FormulaC17H28
Molecular Weight232.41 g/mol
Exact Mass232.22
IUPAC Name1-methyl-2-(2-methylnonan-2-yl)benzene
SMILESCCCCCCCC(C)(C)c1ccccc1C
InChIInChI=1S/C17H28/c1-5-6-7-8-11-14-17(3,4)16-13-10-9-12-15(16)2/h9-10,12-13H,5-8,11,14H2,1-4H3
InChIKeyOZKRCKGQFGPZSR-UHFFFAOYSA-N
XLogP5.63
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 ≤ 55.63
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

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CID 175950206
2-(2-methyltetradecan-2-yl)aniline
CID 46835335
1-fluoro-2-(2-methyloctan-2-yl)benzene
CID 155122993
1-(2-chlorododecan-2-yl)-2-methylbenzene
CID 140998406
2,6-bis(2-methyloctan-2-yl)phenol
CID 87300429
1-methoxy-2-(2-methylundecan-2-yl)benzene
CID 56625929
1-(5-butyldecan-5-yl)-2-methylbenzene
CID 173021095
1-methyl-2-(4-propylnonan-4-yl)benzene
CID 173020959
tetrakis(hexane);tris(1,2-xylene)
CID 173431292
3,6-bis(2-methylheptan-2-yl)benzene-1,2-diol
CID 54503359
1-methyl-2-[2-[2-(2-methylphenyl)hexan-2-yloxy]hexan-2-yl]benzene
CID 175217008
2-[2-(2-hydroxyphenyl)octan-2-yl]phenol
CID 22402788

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(2-methylnonan-2-yl)benzene?
The IUPAC name of 1-methyl-2-(2-methylnonan-2-yl)benzene (CID 173398829) is 1-methyl-2-(2-methylnonan-2-yl)benzene.
What is the SMILES notation for 1-methyl-2-(2-methylnonan-2-yl)benzene?
The canonical SMILES for 1-methyl-2-(2-methylnonan-2-yl)benzene is CCCCCCCC(C)(C)c1ccccc1C.
What is the InChIKey of 1-methyl-2-(2-methylnonan-2-yl)benzene?
The InChIKey is OZKRCKGQFGPZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28/c1-5-6-7-8-11-14-17(3,4)16-13-10-9-12-15(16)2/h9-10,12-13H,5-8,11,14H2,1-4H3.
What are the key properties of 1-methyl-2-(2-methylnonan-2-yl)benzene?
1-methyl-2-(2-methylnonan-2-yl)benzene has a molecular weight of 232.41 g/mol, XLogP of 5.63, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(2-methylnonan-2-yl)benzene is sourced from PubChem (CID 173398829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).