(benzoyloxy-methyl-prop-2-enylsilyl) benzoate

C18H18O4Si — CID 54168383

IUPAC(benzoyloxy-methyl-prop-2-enylsilyl) benzoate
SMILESC=CC[Si](C)(OC(=O)c1ccccc1)OC(=O)c1ccccc1
InChIInChI=1S/C18H18O4Si/c1-3-14-23(2,21-17(19)15-10-6-4-7-11-15)22-18(20)16-12-8-5-9-13-16/h3-13H,1,14H2,2H3
InChIKeyOTGPVXWRVGBIPW-UHFFFAOYSA-N
MW326.42 g/mol
LogP3.96
Rot. Bonds6

About (benzoyloxy-methyl-prop-2-enylsilyl) benzoate

(benzoyloxy-methyl-prop-2-enylsilyl) benzoate (PubChem CID 54168383) has the molecular formula C18H18O4Si and a molecular weight of 326.42 g/mol. Its IUPAC name is (benzoyloxy-methyl-prop-2-enylsilyl) benzoate.

Molecular Properties

Compound Name(benzoyloxy-methyl-prop-2-enylsilyl) benzoate
PubChem CID54168383
Molecular FormulaC18H18O4Si
Molecular Weight326.42 g/mol
Exact Mass326.10
IUPAC Name(benzoyloxy-methyl-prop-2-enylsilyl) benzoate
SMILESC=CC[Si](C)(OC(=O)c1ccccc1)OC(=O)c1ccccc1
InChIInChI=1S/C18H18O4Si/c1-3-14-23(2,21-17(19)15-10-6-4-7-11-15)22-18(20)16-12-8-5-9-13-16/h3-13H,1,14H2,2H3
InChIKeyOTGPVXWRVGBIPW-UHFFFAOYSA-N
XLogP3.96
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[dimethyl(prop-2-enyl)silyl]-phenylmethanone
CID 135057035
benzoyl benzenecarboperoxoate;prop-1-ene
CID 163525367
benzoyl benzenecarboperoxoate;prop-2-en-1-amine
CID 88605356
formic acid;prop-2-enyl benzoate
CID 174813743
ethenyl benzoate
CID 158178912
[bis(prop-2-enyl)amino] benzoate
CID 11715496
CID 69279397
CID 69279397
ethenyl benzoate;2-methylprop-1-ene
CID 174957134
[(2S,3S)-3-hydroxyhex-5-en-2-yl] benzoate
CID 134930488
[diethyl-[(E)-2-phenylethenyl]silyl] benzoate
CID 169097316
CID 102012562
CID 102012562
methanol;prop-2-enoic acid;propyl benzoate
CID 141098726

Frequently Asked Questions

What is the IUPAC name of (benzoyloxy-methyl-prop-2-enylsilyl) benzoate?
The IUPAC name of (benzoyloxy-methyl-prop-2-enylsilyl) benzoate (CID 54168383) is (benzoyloxy-methyl-prop-2-enylsilyl) benzoate.
What is the SMILES notation for (benzoyloxy-methyl-prop-2-enylsilyl) benzoate?
The canonical SMILES for (benzoyloxy-methyl-prop-2-enylsilyl) benzoate is C=CC[Si](C)(OC(=O)c1ccccc1)OC(=O)c1ccccc1.
What is the InChIKey of (benzoyloxy-methyl-prop-2-enylsilyl) benzoate?
The InChIKey is OTGPVXWRVGBIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O4Si/c1-3-14-23(2,21-17(19)15-10-6-4-7-11-15)22-18(20)16-12-8-5-9-13-16/h3-13H,1,14H2,2H3.
What are the key properties of (benzoyloxy-methyl-prop-2-enylsilyl) benzoate?
(benzoyloxy-methyl-prop-2-enylsilyl) benzoate has a molecular weight of 326.42 g/mol, XLogP of 3.96, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (benzoyloxy-methyl-prop-2-enylsilyl) benzoate is sourced from PubChem (CID 54168383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).