CID 57162775

C7H13O2Si — CID 57162775

IUPAC—
SMILESCCC[C@H](O[Si])[C@H](C)C=O
InChIInChI=1S/C7H13O2Si/c1-3-4-7(9-10)6(2)5-8/h5-7H,3-4H2,1-2H3/t6-,7+/m1/s1
InChIKeyWXTYNUBJMBUFTA-RQJHMYQMSA-N
MW157.26 g/mol
LogP1.09
Rot. Bonds5

About CID 57162775

CID 57162775 (PubChem CID 57162775) has the molecular formula C7H13O2Si and a molecular weight of 157.26 g/mol.

Molecular Properties

Compound NameCID 57162775
PubChem CID57162775
Molecular FormulaC7H13O2Si
Molecular Weight157.26 g/mol
Exact Mass157.07
IUPAC Name—
SMILESCCC[C@H](O[Si])[C@H](C)C=O
InChIInChI=1S/C7H13O2Si/c1-3-4-7(9-10)6(2)5-8/h5-7H,3-4H2,1-2H3/t6-,7+/m1/s1
InChIKeyWXTYNUBJMBUFTA-RQJHMYQMSA-N
XLogP1.09
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 57162775?
The IUPAC name of CID 57162775 (CID 57162775) is not available.
What is the SMILES notation for CID 57162775?
The canonical SMILES for CID 57162775 is CCC[C@H](O[Si])[C@H](C)C=O.
What is the InChIKey of CID 57162775?
The InChIKey is WXTYNUBJMBUFTA-RQJHMYQMSA-N. The full InChI is InChI=1S/C7H13O2Si/c1-3-4-7(9-10)6(2)5-8/h5-7H,3-4H2,1-2H3/t6-,7+/m1/s1.
What are the key properties of CID 57162775?
CID 57162775 has a molecular weight of 157.26 g/mol, XLogP of 1.09, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 57162775 is sourced from PubChem (CID 57162775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).