CID 19429806

C9H17O3Si2 — CID 19429806

IUPAC
SMILESC=C(C)C(=O)OCCC[Si](C)(C)O[Si]
InChIInChI=1S/C9H17O3Si2/c1-8(2)9(10)11-6-5-7-14(3,4)12-13/h1,5-7H2,2-4H3
InChIKeyYXLTXRPXMWKNRK-UHFFFAOYSA-N
MW229.40 g/mol
LogP1.80
Rot. Bonds6

About CID 19429806

CID 19429806 (PubChem CID 19429806) has the molecular formula C9H17O3Si2 and a molecular weight of 229.40 g/mol.

Molecular Properties

Compound NameCID 19429806
PubChem CID19429806
Molecular FormulaC9H17O3Si2
Molecular Weight229.40 g/mol
Exact Mass229.07
IUPAC Name
SMILESC=C(C)C(=O)OCCC[Si](C)(C)O[Si]
InChIInChI=1S/C9H17O3Si2/c1-8(2)9(10)11-6-5-7-14(3,4)12-13/h1,5-7H2,2-4H3
InChIKeyYXLTXRPXMWKNRK-UHFFFAOYSA-N
XLogP1.80
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.40
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 19429806?
The IUPAC name of CID 19429806 (CID 19429806) is not available.
What is the SMILES notation for CID 19429806?
The canonical SMILES for CID 19429806 is C=C(C)C(=O)OCCC[Si](C)(C)O[Si].
What is the InChIKey of CID 19429806?
The InChIKey is YXLTXRPXMWKNRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17O3Si2/c1-8(2)9(10)11-6-5-7-14(3,4)12-13/h1,5-7H2,2-4H3.
What are the key properties of CID 19429806?
CID 19429806 has a molecular weight of 229.40 g/mol, XLogP of 1.80, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 19429806 is sourced from PubChem (CID 19429806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).