acetyl acetate;methane;methoxy-dimethyl-[3-(3-methylphenyl)-1-phenylpentyl]silane;methoxy-dimethyl-(1-phenylpropyl)silane

C38H60O5Si2 — CID 160570428

IUPACacetyl acetate;methane;methoxy-dimethyl-[3-(3-methylphenyl)-1-phenylpentyl]silane;methoxy-dimethyl-(1-phenylpropyl)silane
SMILESC.CC(=O)OC(C)=O.CCC(CC(c1ccccc1)[Si](C)(C)OC)c1cccc(C)c1.CCC(c1ccccc1)[Si](C)(C)OC
InChIInChI=1S/C21H30OSi.C12H20OSi.C4H6O3.CH4/c1-6-18(20-14-10-11-17(2)15-20)16-21(23(4,5)22-3)19-12-8-7-9-13-19;1-5-12(14(3,4)13-2)11-9-7-6-8-10-11;1-3(5)7-4(2)6;/h7-15,18,21H,6,16H2,1-5H3;6-10,12H,5H2,1-4H3;1-2H3;1H4
InChIKeyRAMALOJKJBOXQW-UHFFFAOYSA-N
MW653.07 g/mol
LogP10.36
Rot. Bonds11

About acetyl acetate;methane;methoxy-dimethyl-[3-(3-methylphenyl)-1-phenylpentyl]silane;methoxy-dimethyl-(1-phenylpropyl)silane

acetyl acetate;methane;methoxy-dimethyl-[3-(3-methylphenyl)-1-phenylpentyl]silane;methoxy-dimethyl-(1-phenylpropyl)silane (PubChem CID 160570428) has the molecular formula C38H60O5Si2 and a molecular weight of 653.07 g/mol. Its IUPAC name is acetyl acetate;methane;methoxy-dimethyl-[3-(3-methylphenyl)-1-phenylpentyl]silane;methoxy-dimethyl-(1-phenylpropyl)silane.

Molecular Properties

Compound Nameacetyl acetate;methane;methoxy-dimethyl-[3-(3-methylphenyl)-1-phenylpentyl]silane;methoxy-dimethyl-(1-phenylpropyl)silane
PubChem CID160570428
Molecular FormulaC38H60O5Si2
Molecular Weight653.07 g/mol
Exact Mass652.40
IUPAC Nameacetyl acetate;methane;methoxy-dimethyl-[3-(3-methylphenyl)-1-phenylpentyl]silane;methoxy-dimethyl-(1-phenylpropyl)silane
SMILESC.CC(=O)OC(C)=O.CCC(CC(c1ccccc1)[Si](C)(C)OC)c1cccc(C)c1.CCC(c1ccccc1)[Si](C)(C)OC
InChIInChI=1S/C21H30OSi.C12H20OSi.C4H6O3.CH4/c1-6-18(20-14-10-11-17(2)15-20)16-21(23(4,5)22-3)19-12-8-7-9-13-19;1-5-12(14(3,4)13-2)11-9-7-6-8-10-11;1-3(5)7-4(2)6;/h7-15,18,21H,6,16H2,1-5H3;6-10,12H,5H2,1-4H3;1-2H3;1H4
InChIKeyRAMALOJKJBOXQW-UHFFFAOYSA-N
XLogP10.36
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.07
LogP ≤ 510.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

methane;methoxy-dimethyl-[3-(3-methylphenyl)-1-phenylpentyl]silane
CID 159216631
(3R)-3-hydroxy-3-(3-methylphenyl)propanoic acid
CID 11708164
1-methyl-3-[1-[2-(3-methylphenyl)butoxy]butan-2-yl]benzene
CID 139620258
ethyl (2S)-2-(3-methylphenyl)propanoate
CID 14891800
1-(3-methylphenyl)-1-propoxypropan-2-one
CID 83225723
1,1-bis(3-methylphenyl)propan-2-one;ethane
CID 145153760
4-hydroxy-4-(3-methylphenyl)butan-2-one
CID 14268468
2-(3-methylphenyl)-3-trimethylsilylpropanoic acid
CID 106322983
butan-2-one;methanol;toluene
CID 23136147
1-chloro-1-(3-methylphenyl)butan-2-one
CID 82161739
ethyl (2R)-2-amino-2-(3-methylphenyl)acetate
CID 93311210
methyl 2-amino-2-(3-methylphenyl)acetate;hydrochloride
CID 50944342

Frequently Asked Questions

What is the IUPAC name of acetyl acetate;methane;methoxy-dimethyl-[3-(3-methylphenyl)-1-phenylpentyl]silane;methoxy-dimethyl-(1-phenylpropyl)silane?
The IUPAC name of acetyl acetate;methane;methoxy-dimethyl-[3-(3-methylphenyl)-1-phenylpentyl]silane;methoxy-dimethyl-(1-phenylpropyl)silane (CID 160570428) is acetyl acetate;methane;methoxy-dimethyl-[3-(3-methylphenyl)-1-phenylpentyl]silane;methoxy-dimethyl-(1-phenylpropyl)silane.
What is the SMILES notation for acetyl acetate;methane;methoxy-dimethyl-[3-(3-methylphenyl)-1-phenylpentyl]silane;methoxy-dimethyl-(1-phenylpropyl)silane?
The canonical SMILES for acetyl acetate;methane;methoxy-dimethyl-[3-(3-methylphenyl)-1-phenylpentyl]silane;methoxy-dimethyl-(1-phenylpropyl)silane is C.CC(=O)OC(C)=O.CCC(CC(c1ccccc1)[Si](C)(C)OC)c1cccc(C)c1.CCC(c1ccccc1)[Si](C)(C)OC.
What is the InChIKey of acetyl acetate;methane;methoxy-dimethyl-[3-(3-methylphenyl)-1-phenylpentyl]silane;methoxy-dimethyl-(1-phenylpropyl)silane?
The InChIKey is RAMALOJKJBOXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30OSi.C12H20OSi.C4H6O3.CH4/c1-6-18(20-14-10-11-17(2)15-20)16-21(23(4,5)22-3)19-12-8-7-9-13-19;1-5-12(14(3,4)13-2)11-9-7-6-8-10-11;1-3(5)7-4(2)6;/h7-15,18,21H,6,16H2,1-5H3;6-10,12H,5H2,1-4H3;1-2H3;1H4.
What are the key properties of acetyl acetate;methane;methoxy-dimethyl-[3-(3-methylphenyl)-1-phenylpentyl]silane;methoxy-dimethyl-(1-phenylpropyl)silane?
acetyl acetate;methane;methoxy-dimethyl-[3-(3-methylphenyl)-1-phenylpentyl]silane;methoxy-dimethyl-(1-phenylpropyl)silane has a molecular weight of 653.07 g/mol, XLogP of 10.36, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetyl acetate;methane;methoxy-dimethyl-[3-(3-methylphenyl)-1-phenylpentyl]silane;methoxy-dimethyl-(1-phenylpropyl)silane is sourced from PubChem (CID 160570428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).