CID 136913426

C8H17O3Si — CID 136913426

IUPAC—
SMILESCCO[Si](OC(C)=O)C(C)CC
InChIInChI=1S/C8H17O3Si/c1-5-7(3)12(10-6-2)11-8(4)9/h7H,5-6H2,1-4H3
InChIKeyNOEXVYIAHDVTAF-UHFFFAOYSA-N
MW189.31 g/mol
LogP1.87
Rot. Bonds5

About CID 136913426

CID 136913426 (PubChem CID 136913426) has the molecular formula C8H17O3Si and a molecular weight of 189.31 g/mol.

Molecular Properties

Compound NameCID 136913426
PubChem CID136913426
Molecular FormulaC8H17O3Si
Molecular Weight189.31 g/mol
Exact Mass189.09
IUPAC Name—
SMILESCCO[Si](OC(C)=O)C(C)CC
InChIInChI=1S/C8H17O3Si/c1-5-7(3)12(10-6-2)11-8(4)9/h7H,5-6H2,1-4H3
InChIKeyNOEXVYIAHDVTAF-UHFFFAOYSA-N
XLogP1.87
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.31
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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ethyl acetate;2-methylpropanamide
CID 174848751
CID 21266980
CID 21266980
CID 136913414
CID 136913414

Frequently Asked Questions

What is the IUPAC name of CID 136913426?
The IUPAC name of CID 136913426 (CID 136913426) is not available.
What is the SMILES notation for CID 136913426?
The canonical SMILES for CID 136913426 is CCO[Si](OC(C)=O)C(C)CC.
What is the InChIKey of CID 136913426?
The InChIKey is NOEXVYIAHDVTAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17O3Si/c1-5-7(3)12(10-6-2)11-8(4)9/h7H,5-6H2,1-4H3.
What are the key properties of CID 136913426?
CID 136913426 has a molecular weight of 189.31 g/mol, XLogP of 1.87, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 136913426 is sourced from PubChem (CID 136913426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).