CID 167431363

C9H17O3Si — CID 167431363

IUPAC—
SMILESC=C(C)C(=O)C[Si](OCC)OCC
InChIInChI=1S/C9H17O3Si/c1-5-11-13(12-6-2)7-9(10)8(3)4/h3,5-7H2,1-2,4H3
InChIKeyRVZSKAZNVIMWGN-UHFFFAOYSA-N
MW201.32 g/mol
LogP1.69
Rot. Bonds7

About CID 167431363

CID 167431363 (PubChem CID 167431363) has the molecular formula C9H17O3Si and a molecular weight of 201.32 g/mol.

Molecular Properties

Compound NameCID 167431363
PubChem CID167431363
Molecular FormulaC9H17O3Si
Molecular Weight201.32 g/mol
Exact Mass201.09
IUPAC Name—
SMILESC=C(C)C(=O)C[Si](OCC)OCC
InChIInChI=1S/C9H17O3Si/c1-5-11-13(12-6-2)7-9(10)8(3)4/h3,5-7H2,1-2,4H3
InChIKeyRVZSKAZNVIMWGN-UHFFFAOYSA-N
XLogP1.69
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.32
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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methane;1-methoxy-3-methylbut-3-en-2-one
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2,5-dimethylhexa-1,5-dien-3-one
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1-[ethoxy(methoxy)silyl]-3-methylbut-3-en-2-one
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Frequently Asked Questions

What is the IUPAC name of CID 167431363?
The IUPAC name of CID 167431363 (CID 167431363) is not available.
What is the SMILES notation for CID 167431363?
The canonical SMILES for CID 167431363 is C=C(C)C(=O)C[Si](OCC)OCC.
What is the InChIKey of CID 167431363?
The InChIKey is RVZSKAZNVIMWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17O3Si/c1-5-11-13(12-6-2)7-9(10)8(3)4/h3,5-7H2,1-2,4H3.
What are the key properties of CID 167431363?
CID 167431363 has a molecular weight of 201.32 g/mol, XLogP of 1.69, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 167431363 is sourced from PubChem (CID 167431363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).