propan-2-yl 2-[methyl(diphenyl)silyl]acetate

C18H22O2Si — CID 13197434

IUPACpropan-2-yl 2-[methyl(diphenyl)silyl]acetate
SMILESCC(C)OC(=O)C[Si](C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H22O2Si/c1-15(2)20-18(19)14-21(3,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,15H,14H2,1-3H3
InChIKeyBTVMSVMHNBLMQQ-UHFFFAOYSA-N
MW298.46 g/mol
LogP2.83
Rot. Bonds5

About propan-2-yl 2-[methyl(diphenyl)silyl]acetate

propan-2-yl 2-[methyl(diphenyl)silyl]acetate (PubChem CID 13197434) has the molecular formula C18H22O2Si and a molecular weight of 298.46 g/mol. Its IUPAC name is propan-2-yl 2-[methyl(diphenyl)silyl]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[methyl(diphenyl)silyl]acetate
PubChem CID13197434
Molecular FormulaC18H22O2Si
Molecular Weight298.46 g/mol
Exact Mass298.14
IUPAC Namepropan-2-yl 2-[methyl(diphenyl)silyl]acetate
SMILESCC(C)OC(=O)C[Si](C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H22O2Si/c1-15(2)20-18(19)14-21(3,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,15H,14H2,1-3H3
InChIKeyBTVMSVMHNBLMQQ-UHFFFAOYSA-N
XLogP2.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.46
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Silanediol, 1,1-diphenyl-, 1,1-diacetate
CID 75718
Ethyl (diphenylphosphino)acetate
CID 108738
Ethyl (diphenylmethylsilyl)acetate
CID 268027
(3S,4E)-Methyl 3-(dimethylphenylsilyl)-4-hexenoate
CID 10038373
(3R,4E)-Methyl 3-(dimethylphenylsilyl)-4-hexenoate
CID 10515647
Ethyl 3-[fluoro(diphenyl)silyl]propanoate
CID 14984229
2-[Tert-butyl(diphenyl)silyl]acetaldehyde
CID 10379059
Methyl (R)-3-((tert-butyldiphenylsilyl)oxy)-2-methylpropanoate
CID 11121845
methyl(S)-3-(t-butyldiphenylsilyloxy)-2-methylpropionate
CID 11302759
Methyl 2-[dimethyl(phenyl)silyl]but-3-enoate
CID 12798756
[5-Acetyloxy-3-[dimethyl(phenyl)silyl]oxypentyl] acetate
CID 90840897
C15H16O2Si
CID 13117830

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[methyl(diphenyl)silyl]acetate?
The IUPAC name of propan-2-yl 2-[methyl(diphenyl)silyl]acetate (CID 13197434) is propan-2-yl 2-[methyl(diphenyl)silyl]acetate.
What is the SMILES notation for propan-2-yl 2-[methyl(diphenyl)silyl]acetate?
The canonical SMILES for propan-2-yl 2-[methyl(diphenyl)silyl]acetate is CC(C)OC(=O)C[Si](C)(c1ccccc1)c1ccccc1.
What is the InChIKey of propan-2-yl 2-[methyl(diphenyl)silyl]acetate?
The InChIKey is BTVMSVMHNBLMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2Si/c1-15(2)20-18(19)14-21(3,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,15H,14H2,1-3H3.
What are the key properties of propan-2-yl 2-[methyl(diphenyl)silyl]acetate?
propan-2-yl 2-[methyl(diphenyl)silyl]acetate has a molecular weight of 298.46 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[methyl(diphenyl)silyl]acetate is sourced from PubChem (CID 13197434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).