2,4,6,8-tetramethyl-2,8-diphenylnonan-5-one

C25H34O — CID 150218147

IUPAC2,4,6,8-tetramethyl-2,8-diphenylnonan-5-one
SMILESCC(CC(C)(C)c1ccccc1)C(=O)C(C)CC(C)(C)c1ccccc1
InChIInChI=1S/C25H34O/c1-19(17-24(3,4)21-13-9-7-10-14-21)23(26)20(2)18-25(5,6)22-15-11-8-12-16-22/h7-16,19-20H,17-18H2,1-6H3
InChIKeyFSXLOHQISRZTMF-UHFFFAOYSA-N
MW350.55 g/mol
LogP6.56
Rot. Bonds8

About 2,4,6,8-tetramethyl-2,8-diphenylnonan-5-one

2,4,6,8-tetramethyl-2,8-diphenylnonan-5-one (PubChem CID 150218147) has the molecular formula C25H34O and a molecular weight of 350.55 g/mol. Its IUPAC name is 2,4,6,8-tetramethyl-2,8-diphenylnonan-5-one.

Molecular Properties

Compound Name2,4,6,8-tetramethyl-2,8-diphenylnonan-5-one
PubChem CID150218147
Molecular FormulaC25H34O
Molecular Weight350.55 g/mol
Exact Mass350.26
IUPAC Name2,4,6,8-tetramethyl-2,8-diphenylnonan-5-one
SMILESCC(CC(C)(C)c1ccccc1)C(=O)C(C)CC(C)(C)c1ccccc1
InChIInChI=1S/C25H34O/c1-19(17-24(3,4)21-13-9-7-10-14-21)23(26)20(2)18-25(5,6)22-15-11-8-12-16-22/h7-16,19-20H,17-18H2,1-6H3
InChIKeyFSXLOHQISRZTMF-UHFFFAOYSA-N
XLogP6.56
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.55
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-4-methyl-4-phenylpentan-2-ol
CID 69029171
2-amino-4-methyl-4-phenylpentanoic acid
CID 11287233
2-methyl-3-(methylamino)-N-(4-methyl-4-phenylpentan-2-yl)propanamide
CID 119755787
(2R)-2,4-dimethyl-4-phenylpentan-1-amine
CID 42077880
2-(methylamino)-N-(4-methyl-4-phenylpentan-2-yl)acetamide
CID 119755775
methyl (2S)-2-[(4-methyl-4-phenylpentan-2-yl)amino]propanoate
CID 43786736
N-[(2R)-4-methyl-4-phenylpentan-2-yl]cyclopropanecarboxamide
CID 95376601
methyl 2-[(4-methyl-4-phenylpentan-2-yl)amino]propanoate
CID 60781932
(2R)-N,4-dimethyl-4-phenylpentan-2-amine
CID 42077724
N,N,4-trimethyl-4-phenylpentan-2-amine
CID 142069190
2,3,3,5-tetramethyl-5-phenylhexanoic acid
CID 147319190
[(2S)-4-methyl-1-oxo-4-phenylpentan-2-yl] carbamate
CID 87659192

Frequently Asked Questions

What is the IUPAC name of 2,4,6,8-tetramethyl-2,8-diphenylnonan-5-one?
The IUPAC name of 2,4,6,8-tetramethyl-2,8-diphenylnonan-5-one (CID 150218147) is 2,4,6,8-tetramethyl-2,8-diphenylnonan-5-one.
What is the SMILES notation for 2,4,6,8-tetramethyl-2,8-diphenylnonan-5-one?
The canonical SMILES for 2,4,6,8-tetramethyl-2,8-diphenylnonan-5-one is CC(CC(C)(C)c1ccccc1)C(=O)C(C)CC(C)(C)c1ccccc1.
What is the InChIKey of 2,4,6,8-tetramethyl-2,8-diphenylnonan-5-one?
The InChIKey is FSXLOHQISRZTMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34O/c1-19(17-24(3,4)21-13-9-7-10-14-21)23(26)20(2)18-25(5,6)22-15-11-8-12-16-22/h7-16,19-20H,17-18H2,1-6H3.
What are the key properties of 2,4,6,8-tetramethyl-2,8-diphenylnonan-5-one?
2,4,6,8-tetramethyl-2,8-diphenylnonan-5-one has a molecular weight of 350.55 g/mol, XLogP of 6.56, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6,8-tetramethyl-2,8-diphenylnonan-5-one is sourced from PubChem (CID 150218147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).