(5S,6S)-2,2,6,8-tetramethyl-5-phenylnonane-3,7-dione

C19H28O2 — CID 134905612

IUPAC(5S,6S)-2,2,6,8-tetramethyl-5-phenylnonane-3,7-dione
SMILESCC(C)C(=O)[C@@H](C)[C@H](CC(=O)C(C)(C)C)c1ccccc1
InChIInChI=1S/C19H28O2/c1-13(2)18(21)14(3)16(12-17(20)19(4,5)6)15-10-8-7-9-11-15/h7-11,13-14,16H,12H2,1-6H3/t14-,16-/m0/s1
InChIKeyPAEMAVRPCFOTAS-HOCLYGCPSA-N
MW288.43 g/mol
LogP4.64
Rot. Bonds6

About (5S,6S)-2,2,6,8-tetramethyl-5-phenylnonane-3,7-dione

(5S,6S)-2,2,6,8-tetramethyl-5-phenylnonane-3,7-dione (PubChem CID 134905612) has the molecular formula C19H28O2 and a molecular weight of 288.43 g/mol. Its IUPAC name is (5S,6S)-2,2,6,8-tetramethyl-5-phenylnonane-3,7-dione.

Molecular Properties

Compound Name(5S,6S)-2,2,6,8-tetramethyl-5-phenylnonane-3,7-dione
PubChem CID134905612
Molecular FormulaC19H28O2
Molecular Weight288.43 g/mol
Exact Mass288.21
IUPAC Name(5S,6S)-2,2,6,8-tetramethyl-5-phenylnonane-3,7-dione
SMILESCC(C)C(=O)[C@@H](C)[C@H](CC(=O)C(C)(C)C)c1ccccc1
InChIInChI=1S/C19H28O2/c1-13(2)18(21)14(3)16(12-17(20)19(4,5)6)15-10-8-7-9-11-15/h7-11,13-14,16H,12H2,1-6H3/t14-,16-/m0/s1
InChIKeyPAEMAVRPCFOTAS-HOCLYGCPSA-N
XLogP4.64
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (5S,6S)-2,2,6,8-tetramethyl-5-phenylnonane-3,7-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-dimethyl-5-phenylheptan-3-one
CID 15091945
4,4-dimethyl-1-methylsulfanyl-1-phenylpentan-3-one
CID 176697757
4-methyl-3-phenylpentanoic acid
CID 3249521
(2R,3S)-2,6,6-trimethyl-1-phenyl-3-[(2R)-1,1,1-trifluoropropan-2-yl]heptane-1,5-dione
CID 101156809
2-[(1R)-4,4-dimethyl-3-oxo-1-phenylpentyl]indene-1,3-dione
CID 793748
4-methyl-3-phenylpentanamide
CID 66616845
1-chloro-3-methyl-1-phenylbutan-2-one
CID 79006597
methyl (3S)-2-methyl-5-oxo-3,5-diphenylpentanoate
CID 58174664
(3,3-dimethyl-2-oxobutyl)-triphenylphosphanium bromide
CID 19850748
2-methyl-3-phenyl-4-sulfanylbutanoic acid
CID 174651583
(4S,5R)-5-hydroxy-2,4-dimethyl-6-phenoxyhexan-3-one
CID 11390719
2,2,8,8-tetramethyl-5-pyridin-1-ium-4-ylnonane-3,7-dione
CID 4301312

Frequently Asked Questions

What is the IUPAC name of (5S,6S)-2,2,6,8-tetramethyl-5-phenylnonane-3,7-dione?
The IUPAC name of (5S,6S)-2,2,6,8-tetramethyl-5-phenylnonane-3,7-dione (CID 134905612) is (5S,6S)-2,2,6,8-tetramethyl-5-phenylnonane-3,7-dione.
What is the SMILES notation for (5S,6S)-2,2,6,8-tetramethyl-5-phenylnonane-3,7-dione?
The canonical SMILES for (5S,6S)-2,2,6,8-tetramethyl-5-phenylnonane-3,7-dione is CC(C)C(=O)[C@@H](C)[C@H](CC(=O)C(C)(C)C)c1ccccc1.
What is the InChIKey of (5S,6S)-2,2,6,8-tetramethyl-5-phenylnonane-3,7-dione?
The InChIKey is PAEMAVRPCFOTAS-HOCLYGCPSA-N. The full InChI is InChI=1S/C19H28O2/c1-13(2)18(21)14(3)16(12-17(20)19(4,5)6)15-10-8-7-9-11-15/h7-11,13-14,16H,12H2,1-6H3/t14-,16-/m0/s1.
What are the key properties of (5S,6S)-2,2,6,8-tetramethyl-5-phenylnonane-3,7-dione?
(5S,6S)-2,2,6,8-tetramethyl-5-phenylnonane-3,7-dione has a molecular weight of 288.43 g/mol, XLogP of 4.64, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6S)-2,2,6,8-tetramethyl-5-phenylnonane-3,7-dione is sourced from PubChem (CID 134905612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).