(5-ethyl-2,7-dimethylnonan-5-yl)benzene

C19H32 — CID 57301668

IUPAC(5-ethyl-2,7-dimethylnonan-5-yl)benzene
SMILESCCC(C)CC(CC)(CCC(C)C)c1ccccc1
InChIInChI=1S/C19H32/c1-6-17(5)15-19(7-2,14-13-16(3)4)18-11-9-8-10-12-18/h8-12,16-17H,6-7,13-15H2,1-5H3
InChIKeyNGQDMCKQQJVRLW-UHFFFAOYSA-N
MW260.46 g/mol
LogP6.21
Rot. Bonds8

About (5-ethyl-2,7-dimethylnonan-5-yl)benzene

(5-ethyl-2,7-dimethylnonan-5-yl)benzene (PubChem CID 57301668) has the molecular formula C19H32 and a molecular weight of 260.46 g/mol. Its IUPAC name is (5-ethyl-2,7-dimethylnonan-5-yl)benzene.

Molecular Properties

Compound Name(5-ethyl-2,7-dimethylnonan-5-yl)benzene
PubChem CID57301668
Molecular FormulaC19H32
Molecular Weight260.46 g/mol
Exact Mass260.25
IUPAC Name(5-ethyl-2,7-dimethylnonan-5-yl)benzene
SMILESCCC(C)CC(CC)(CCC(C)C)c1ccccc1
InChIInChI=1S/C19H32/c1-6-17(5)15-19(7-2,14-13-16(3)4)18-11-9-8-10-12-18/h8-12,16-17H,6-7,13-15H2,1-5H3
InChIKeyNGQDMCKQQJVRLW-UHFFFAOYSA-N
XLogP6.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.46
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(2-methylpentyl)-2-phenylpropane-1,3-diol
CID 79449866
2-(4-methylpentyl)-2-phenylpropane-1,3-diol
CID 83168289
2,4-diethyl-N-(2-methylpropyl)-2-phenylhexan-1-amine
CID 82926022
2-ethyl-N-(2-methylpropyl)-2-phenylbutan-1-amine
CID 62594549
2-hydroxy-5-methyl-2-phenylhexanenitrile
CID 162405988
3-(chloromethyl)pentan-3-ylbenzene
CID 65439114
5-methyl-2,2-diphenylhexanamide;hydrochloride
CID 175870176
2-ethyl-4-(2-methylpropoxy)-2-phenylbutan-1-amine
CID 106456783
[3-(bromomethyl)-1-(2-methylpropoxy)pentan-3-yl]benzene
CID 106459607
2-ethyl-6-methyl-2-phenylheptanoic acid
CID 83158043
3,7-dimethyloctan-3-ol;2-phenylbutan-2-ol
CID 159895945
3-ethyl-7-methyl-3-phenyloctan-4-ol
CID 63414576

Frequently Asked Questions

What is the IUPAC name of (5-ethyl-2,7-dimethylnonan-5-yl)benzene?
The IUPAC name of (5-ethyl-2,7-dimethylnonan-5-yl)benzene (CID 57301668) is (5-ethyl-2,7-dimethylnonan-5-yl)benzene.
What is the SMILES notation for (5-ethyl-2,7-dimethylnonan-5-yl)benzene?
The canonical SMILES for (5-ethyl-2,7-dimethylnonan-5-yl)benzene is CCC(C)CC(CC)(CCC(C)C)c1ccccc1.
What is the InChIKey of (5-ethyl-2,7-dimethylnonan-5-yl)benzene?
The InChIKey is NGQDMCKQQJVRLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32/c1-6-17(5)15-19(7-2,14-13-16(3)4)18-11-9-8-10-12-18/h8-12,16-17H,6-7,13-15H2,1-5H3.
What are the key properties of (5-ethyl-2,7-dimethylnonan-5-yl)benzene?
(5-ethyl-2,7-dimethylnonan-5-yl)benzene has a molecular weight of 260.46 g/mol, XLogP of 6.21, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-2,7-dimethylnonan-5-yl)benzene is sourced from PubChem (CID 57301668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).