CID 167346601

C9H11O4Si — CID 167346601

IUPAC—
SMILESO=C1OCC2C3OC(CC3OC[Si])C12
InChIInChI=1S/C9H11O4Si/c10-9-7-4(2-11-9)8-6(12-3-14)1-5(7)13-8/h4-8H,1-3H2
InChIKeyXRNNVCJNCXQYDT-UHFFFAOYSA-N
MW211.27 g/mol
LogP-0.54
Rot. Bonds2

About CID 167346601

CID 167346601 (PubChem CID 167346601) has the molecular formula C9H11O4Si and a molecular weight of 211.27 g/mol.

Molecular Properties

Compound NameCID 167346601
PubChem CID167346601
Molecular FormulaC9H11O4Si
Molecular Weight211.27 g/mol
Exact Mass211.04
IUPAC Name—
SMILESO=C1OCC2C3OC(CC3OC[Si])C12
InChIInChI=1S/C9H11O4Si/c10-9-7-4(2-11-9)8-6(12-3-14)1-5(7)13-8/h4-8H,1-3H2
InChIKeyXRNNVCJNCXQYDT-UHFFFAOYSA-N
XLogP-0.54
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 5-0.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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(5-oxo-4,10-dioxatricyclo[5.2.1.02,6]decan-8-yl) prop-2-enoate
CID 22168890
(1R,2S,6R,7R)-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one
CID 98044810
(5-oxo-4,10-dioxatricyclo[5.2.1.02,6]decan-8-yl) 3-(trioxidanylsulfanyl)propanoate
CID 59623057
(1R,2S,6R,7R)-4,10-dioxatricyclo[5.2.1.02,6]dec-8-en-3-one
CID 124604928
(1R,2R,6R,7S)-4,10-dioxatricyclo[5.2.1.02,6]dec-8-en-3-one
CID 124639177
8-(3-silylpropoxy)-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one;9-(3-silylpropoxy)-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one;5-(3-silylpropoxy)spiro[7-oxabicyclo[2.2.1]heptane-2,3'-oxolane]-2'-one;5-(3-silylpropoxy)spiro[7-oxabicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one;6-(3-silylpropoxy)spiro[7-oxabicyclo[2.2.1]heptane-2,3'-oxolane]-2'-one;6-(3-silylpropoxy)spiro[7-oxabicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one
CID 159660789
(1S,2S,6R,7S,8R,9R)-9-hydroxy-8-methoxy-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one
CID 129406676
4-ethyl-6-iodo-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one
CID 147598629
8,9-dimethoxy-4-oxatricyclo[5.2.1.02,6]decan-3-one
CID 58868408
8-amino-9-ethoxy-4-oxatricyclo[5.2.1.02,6]decan-3-one
CID 149104854
(1R,5S,6R)-6-ethyl-3-oxabicyclo[3.1.0]hexan-2-one
CID 14754472

Frequently Asked Questions

What is the IUPAC name of CID 167346601?
The IUPAC name of CID 167346601 (CID 167346601) is not available.
What is the SMILES notation for CID 167346601?
The canonical SMILES for CID 167346601 is O=C1OCC2C3OC(CC3OC[Si])C12.
What is the InChIKey of CID 167346601?
The InChIKey is XRNNVCJNCXQYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11O4Si/c10-9-7-4(2-11-9)8-6(12-3-14)1-5(7)13-8/h4-8H,1-3H2.
What are the key properties of CID 167346601?
CID 167346601 has a molecular weight of 211.27 g/mol, XLogP of -0.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 167346601 is sourced from PubChem (CID 167346601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).