3,3,15,15-tetramethyl-1,17-diphenylheptadecane-2,9,16-trione

C33H46O3 — CID 10228246

IUPAC3,3,15,15-tetramethyl-1,17-diphenylheptadecane-2,9,16-trione
SMILESCC(C)(CCCCCC(=O)CCCCCC(C)(C)C(=O)Cc1ccccc1)C(=O)Cc1ccccc1
InChIInChI=1S/C33H46O3/c1-32(2,30(35)25-27-17-9-5-10-18-27)23-15-7-13-21-29(34)22-14-8-16-24-33(3,4)31(36)26-28-19-11-6-12-20-28/h5-6,9-12,17-20H,7-8,13-16,21-26H2,1-4H3
InChIKeyLLOMBCGFKNAOQI-UHFFFAOYSA-N
MW490.73 g/mol
LogP8.13
Rot. Bonds18

About 3,3,15,15-tetramethyl-1,17-diphenylheptadecane-2,9,16-trione

3,3,15,15-tetramethyl-1,17-diphenylheptadecane-2,9,16-trione (PubChem CID 10228246) has the molecular formula C33H46O3 and a molecular weight of 490.73 g/mol. Its IUPAC name is 3,3,15,15-tetramethyl-1,17-diphenylheptadecane-2,9,16-trione.

Molecular Properties

Compound Name3,3,15,15-tetramethyl-1,17-diphenylheptadecane-2,9,16-trione
PubChem CID10228246
Molecular FormulaC33H46O3
Molecular Weight490.73 g/mol
Exact Mass490.34
IUPAC Name3,3,15,15-tetramethyl-1,17-diphenylheptadecane-2,9,16-trione
SMILESCC(C)(CCCCCC(=O)CCCCCC(C)(C)C(=O)Cc1ccccc1)C(=O)Cc1ccccc1
InChIInChI=1S/C33H46O3/c1-32(2,30(35)25-27-17-9-5-10-18-27)23-15-7-13-21-29(34)22-14-8-16-24-33(3,4)31(36)26-28-19-11-6-12-20-28/h5-6,9-12,17-20H,7-8,13-16,21-26H2,1-4H3
InChIKeyLLOMBCGFKNAOQI-UHFFFAOYSA-N
XLogP8.13
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.73
LogP ≤ 58.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-phenyldecane-2,9-dione
CID 146832793
1-phenylheptadecan-2-one
CID 12920609
8-oxo-9-phenylnonanoic acid
CID 58119944
7,7-dimethyl-1-phenyloctan-4-one
CID 105093400
2,2-diphenyltridecan-7-one
CID 91284823
18,18-dimethyl-19-phenylnonadecanoyl chloride
CID 141137071
1,9-diphenylnonan-5-one
CID 23467830
N-tert-butyl-N-(7-oxo-8-phenyloctyl)carbamate
CID 71431538
1-bromo-3,3-dimethyl-5-phenylpentan-2-one
CID 164769527
5-amino-5-methyl-1-phenylhexan-2-one
CID 116571213
dibenzyl 2,2,12,12-tetramethyl-5,9-dioxotridecanedioate
CID 10185803
dimethyl 2,14-dimethyl-8-oxo-2,14-diphenylpentadecanedioate
CID 20631202

Frequently Asked Questions

What is the IUPAC name of 3,3,15,15-tetramethyl-1,17-diphenylheptadecane-2,9,16-trione?
The IUPAC name of 3,3,15,15-tetramethyl-1,17-diphenylheptadecane-2,9,16-trione (CID 10228246) is 3,3,15,15-tetramethyl-1,17-diphenylheptadecane-2,9,16-trione.
What is the SMILES notation for 3,3,15,15-tetramethyl-1,17-diphenylheptadecane-2,9,16-trione?
The canonical SMILES for 3,3,15,15-tetramethyl-1,17-diphenylheptadecane-2,9,16-trione is CC(C)(CCCCCC(=O)CCCCCC(C)(C)C(=O)Cc1ccccc1)C(=O)Cc1ccccc1.
What is the InChIKey of 3,3,15,15-tetramethyl-1,17-diphenylheptadecane-2,9,16-trione?
The InChIKey is LLOMBCGFKNAOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H46O3/c1-32(2,30(35)25-27-17-9-5-10-18-27)23-15-7-13-21-29(34)22-14-8-16-24-33(3,4)31(36)26-28-19-11-6-12-20-28/h5-6,9-12,17-20H,7-8,13-16,21-26H2,1-4H3.
What are the key properties of 3,3,15,15-tetramethyl-1,17-diphenylheptadecane-2,9,16-trione?
3,3,15,15-tetramethyl-1,17-diphenylheptadecane-2,9,16-trione has a molecular weight of 490.73 g/mol, XLogP of 8.13, 18 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,15,15-tetramethyl-1,17-diphenylheptadecane-2,9,16-trione is sourced from PubChem (CID 10228246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).