CID 87429945

C6H12O2Si — CID 87429945

IUPAC—
SMILESCCCCOC(C)=O.[Si]
InChIInChI=1S/C6H12O2.Si/c1-3-4-5-8-6(2)7;/h3-5H2,1-2H3;
InChIKeyPLWFATPSGPQILQ-UHFFFAOYSA-N
MW144.25 g/mol
LogP0.97
Rot. Bonds3

About CID 87429945

CID 87429945 (PubChem CID 87429945) has the molecular formula C6H12O2Si and a molecular weight of 144.25 g/mol.

Molecular Properties

Compound NameCID 87429945
PubChem CID87429945
Molecular FormulaC6H12O2Si
Molecular Weight144.25 g/mol
Exact Mass144.06
IUPAC Name—
SMILESCCCCOC(C)=O.[Si]
InChIInChI=1S/C6H12O2.Si/c1-3-4-5-8-6(2)7;/h3-5H2,1-2H3;
InChIKeyPLWFATPSGPQILQ-UHFFFAOYSA-N
XLogP0.97
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.25
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 87429945?
The IUPAC name of CID 87429945 (CID 87429945) is not available.
What is the SMILES notation for CID 87429945?
The canonical SMILES for CID 87429945 is CCCCOC(C)=O.[Si].
What is the InChIKey of CID 87429945?
The InChIKey is PLWFATPSGPQILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2.Si/c1-3-4-5-8-6(2)7;/h3-5H2,1-2H3;.
What are the key properties of CID 87429945?
CID 87429945 has a molecular weight of 144.25 g/mol, XLogP of 0.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87429945 is sourced from PubChem (CID 87429945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).