CID 87151849

C20H27O5Si — CID 87151849

IUPAC—
SMILESC[Si](C)OC(c1cc(=O)c(OCc2ccccc2)c(CO)o1)C(C)(C)C
InChIInChI=1S/C20H27O5Si/c1-20(2,3)19(25-26(4)5)16-11-15(22)18(17(12-21)24-16)23-13-14-9-7-6-8-10-14/h6-11,19,21H,12-13H2,1-5H3
InChIKeyMJQCCWZSBMRDLM-UHFFFAOYSA-N
MW375.52 g/mol
LogP4.07
Rot. Bonds7

About CID 87151849

CID 87151849 (PubChem CID 87151849) has the molecular formula C20H27O5Si and a molecular weight of 375.52 g/mol.

Molecular Properties

Compound NameCID 87151849
PubChem CID87151849
Molecular FormulaC20H27O5Si
Molecular Weight375.52 g/mol
Exact Mass375.16
IUPAC Name—
SMILESC[Si](C)OC(c1cc(=O)c(OCc2ccccc2)c(CO)o1)C(C)(C)C
InChIInChI=1S/C20H27O5Si/c1-20(2,3)19(25-26(4)5)16-11-15(22)18(17(12-21)24-16)23-13-14-9-7-6-8-10-14/h6-11,19,21H,12-13H2,1-5H3
InChIKeyMJQCCWZSBMRDLM-UHFFFAOYSA-N
XLogP4.07
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-(difluoromethyl)-2-(hydroxymethyl)-3-phenylmethoxypyran-4-one
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2,6-bis(hydroxymethyl)-3-phenylmethoxypyran-4-one
CID 18428308
2-(hydroxymethyl)-6-methyl-1-(2-phenylethyl)-3-phenylmethoxypyridin-4-one
CID 156776484
chloro-[2-(hydroxymethyl)-4-oxo-6-(phenylmethoxymethyl)pyran-3-yl]oxylead
CID 143480829
6-methyl-4-oxo-3-phenylmethoxypyran-2-carbaldehyde
CID 12011187
2-(hydroxymethyl)-6-methoxy-7-phenylmethoxychromen-4-one
CID 126484702
1-butyl-2-(hydroxymethyl)-6-methyl-3-phenylmethoxypyridin-4-one
CID 156776485
6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-3-phenylmethoxy-N-propan-2-ylpyran-2-carboxamide
CID 88612540
CID 67272469
CID 67272469
2-(hydroxymethyl)-6-methyl-1-octyl-3-phenylmethoxypyridin-4-one
CID 156776486
tert-butyl 8-(hydroxymethyl)-4,6-dioxo-5-phenylmethoxy-3-propan-2-yl-2H-pyrido[2,1-f][1,2,4]triazine-1-carboxylate
CID 147144744
6-(fluoromethyl)-2-(hydroxymethyl)-3-phenylmethoxypyran-4-one;6-(fluoromethyl)-4-oxo-3-phenylmethoxy-N-propan-2-ylpyran-2-carboxamide;6-(fluoromethyl)-4-oxo-3-phenylmethoxy-N-propan-2-yl-1H-pyridine-2-carboxamide;6-(fluoromethyl)-4-oxo-3-phenylmethoxypyran-2-carbaldehyde;6-(fluoromethyl)-4-oxo-3-phenylmethoxypyran-2-carboxylic acid
CID 157337433

Frequently Asked Questions

What is the IUPAC name of CID 87151849?
The IUPAC name of CID 87151849 (CID 87151849) is not available.
What is the SMILES notation for CID 87151849?
The canonical SMILES for CID 87151849 is C[Si](C)OC(c1cc(=O)c(OCc2ccccc2)c(CO)o1)C(C)(C)C.
What is the InChIKey of CID 87151849?
The InChIKey is MJQCCWZSBMRDLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27O5Si/c1-20(2,3)19(25-26(4)5)16-11-15(22)18(17(12-21)24-16)23-13-14-9-7-6-8-10-14/h6-11,19,21H,12-13H2,1-5H3.
What are the key properties of CID 87151849?
CID 87151849 has a molecular weight of 375.52 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87151849 is sourced from PubChem (CID 87151849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).