CID 22718916

C6H12O3Si — CID 22718916

IUPAC—
SMILESCCCOC[Si]OC(C)=O
InChIInChI=1S/C6H12O3Si/c1-3-4-8-5-10-9-6(2)7/h3-5H2,1-2H3
InChIKeyNQDVZENMJWOJAS-UHFFFAOYSA-N
MW160.24 g/mol
LogP0.55
Rot. Bonds5

About CID 22718916

CID 22718916 (PubChem CID 22718916) has the molecular formula C6H12O3Si and a molecular weight of 160.24 g/mol.

Molecular Properties

Compound NameCID 22718916
PubChem CID22718916
Molecular FormulaC6H12O3Si
Molecular Weight160.24 g/mol
Exact Mass160.06
IUPAC Name—
SMILESCCCOC[Si]OC(C)=O
InChIInChI=1S/C6H12O3Si/c1-3-4-8-5-10-9-6(2)7/h3-5H2,1-2H3
InChIKeyNQDVZENMJWOJAS-UHFFFAOYSA-N
XLogP0.55
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 50.55
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'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 22718916?
The IUPAC name of CID 22718916 (CID 22718916) is not available.
What is the SMILES notation for CID 22718916?
The canonical SMILES for CID 22718916 is CCCOC[Si]OC(C)=O.
What is the InChIKey of CID 22718916?
The InChIKey is NQDVZENMJWOJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3Si/c1-3-4-8-5-10-9-6(2)7/h3-5H2,1-2H3.
What are the key properties of CID 22718916?
CID 22718916 has a molecular weight of 160.24 g/mol, XLogP of 0.55, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 22718916 is sourced from PubChem (CID 22718916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).