Methylbutylsiloxan

C5H13OSi — CID 21326961

IUPAC—
SMILESCCCC[Si](C)O
InChIInChI=1S/C5H13OSi/c1-3-4-5-7(2)6/h6H,3-5H2,1-2H3
InChIKeyYDUZAJBZUBMFIP-UHFFFAOYSA-N
MW117.24 g/mol
LogP1.40
Rot. Bonds3

About Methylbutylsiloxan

Methylbutylsiloxan (PubChem CID 21326961) has the molecular formula C5H13OSi and a molecular weight of 117.24 g/mol.

Molecular Properties

Compound NameMethylbutylsiloxan
PubChem CID21326961
Molecular FormulaC5H13OSi
Molecular Weight117.24 g/mol
Exact Mass117.07
IUPAC Name—
SMILESCCCC[Si](C)O
InChIInChI=1S/C5H13OSi/c1-3-4-5-7(2)6/h6H,3-5H2,1-2H3
InChIKeyYDUZAJBZUBMFIP-UHFFFAOYSA-N
XLogP1.40
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.24
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of Methylbutylsiloxan?
The IUPAC name of Methylbutylsiloxan (CID 21326961) is not available.
What is the SMILES notation for Methylbutylsiloxan?
The canonical SMILES for Methylbutylsiloxan is CCCC[Si](C)O.
What is the InChIKey of Methylbutylsiloxan?
The InChIKey is YDUZAJBZUBMFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13OSi/c1-3-4-5-7(2)6/h6H,3-5H2,1-2H3.
What are the key properties of Methylbutylsiloxan?
Methylbutylsiloxan has a molecular weight of 117.24 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for Methylbutylsiloxan is sourced from PubChem (CID 21326961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).