2,8-dimethyl-4,6-bis(2-methylpropyl)nonan-5-one

C19H38O — CID 174839184

IUPAC2,8-dimethyl-4,6-bis(2-methylpropyl)nonan-5-one
SMILESCC(C)CC(CC(C)C)C(=O)C(CC(C)C)CC(C)C
InChIInChI=1S/C19H38O/c1-13(2)9-17(10-14(3)4)19(20)18(11-15(5)6)12-16(7)8/h13-18H,9-12H2,1-8H3
InChIKeyLRUDOCGHAAYXEY-UHFFFAOYSA-N
MW282.51 g/mol
LogP5.97
Rot. Bonds10

About 2,8-dimethyl-4,6-bis(2-methylpropyl)nonan-5-one

2,8-dimethyl-4,6-bis(2-methylpropyl)nonan-5-one (PubChem CID 174839184) has the molecular formula C19H38O and a molecular weight of 282.51 g/mol. Its IUPAC name is 2,8-dimethyl-4,6-bis(2-methylpropyl)nonan-5-one.

Molecular Properties

Compound Name2,8-dimethyl-4,6-bis(2-methylpropyl)nonan-5-one
PubChem CID174839184
Molecular FormulaC19H38O
Molecular Weight282.51 g/mol
Exact Mass282.29
IUPAC Name2,8-dimethyl-4,6-bis(2-methylpropyl)nonan-5-one
SMILESCC(C)CC(CC(C)C)C(=O)C(CC(C)C)CC(C)C
InChIInChI=1S/C19H38O/c1-13(2)9-17(10-14(3)4)19(20)18(11-15(5)6)12-16(7)8/h13-18H,9-12H2,1-8H3
InChIKeyLRUDOCGHAAYXEY-UHFFFAOYSA-N
XLogP5.97
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.51
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

alumane;4-methyl-2-(2-methylpropyl)pentanoic acid
CID 173457515
(2R)-2-(fluoromethyl)-4-methylpentanoic acid
CID 129304901
ethane;3-ethyl-5-methylhexan-2-one
CID 143623383
4-hydroxy-6-methyl-2-(2-methylpropyl)-5-oxoheptanoic acid
CID 58193304
(2R)-2-(2-methylpropyl)-4-oxopentanoic acid
CID 59074115
(2R)-2-(2-methylpropyl)butanediamide
CID 22942178
(4R)-2-methyl-4-(2-methylpropyl)decan-3-one
CID 158016605
5-ethyl-7-methyloctan-4-one
CID 139477338
methyl (2R)-2-(hydroxymethyl)-4-methylpentanoate
CID 88576332
ethyl 2-(aminomethyl)-4-methylpentanoate
CID 16641205
(2S)-2-(2-aminoethyl)-4-methylpentanoic acid;hydrochloride
CID 120999853
(2R)-4-methyl-2-(2,2,2-trifluoroethyl)pentanoic acid
CID 129371887

Frequently Asked Questions

What is the IUPAC name of 2,8-dimethyl-4,6-bis(2-methylpropyl)nonan-5-one?
The IUPAC name of 2,8-dimethyl-4,6-bis(2-methylpropyl)nonan-5-one (CID 174839184) is 2,8-dimethyl-4,6-bis(2-methylpropyl)nonan-5-one.
What is the SMILES notation for 2,8-dimethyl-4,6-bis(2-methylpropyl)nonan-5-one?
The canonical SMILES for 2,8-dimethyl-4,6-bis(2-methylpropyl)nonan-5-one is CC(C)CC(CC(C)C)C(=O)C(CC(C)C)CC(C)C.
What is the InChIKey of 2,8-dimethyl-4,6-bis(2-methylpropyl)nonan-5-one?
The InChIKey is LRUDOCGHAAYXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38O/c1-13(2)9-17(10-14(3)4)19(20)18(11-15(5)6)12-16(7)8/h13-18H,9-12H2,1-8H3.
What are the key properties of 2,8-dimethyl-4,6-bis(2-methylpropyl)nonan-5-one?
2,8-dimethyl-4,6-bis(2-methylpropyl)nonan-5-one has a molecular weight of 282.51 g/mol, XLogP of 5.97, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethyl-4,6-bis(2-methylpropyl)nonan-5-one is sourced from PubChem (CID 174839184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).