methyloctylsiloxane

C9H21OSi — CID 21243982

IUPAC—
SMILESCCCCCCCC[Si](C)O
InChIInChI=1S/C9H21OSi/c1-3-4-5-6-7-8-9-11(2)10/h10H,3-9H2,1-2H3
InChIKeyWUTBAYNZRGBUGK-UHFFFAOYSA-N
MW173.35 g/mol
LogP2.96
Rot. Bonds7

About methyloctylsiloxane

methyloctylsiloxane (PubChem CID 21243982) has the molecular formula C9H21OSi and a molecular weight of 173.35 g/mol.

Molecular Properties

Compound Namemethyloctylsiloxane
PubChem CID21243982
Molecular FormulaC9H21OSi
Molecular Weight173.35 g/mol
Exact Mass173.14
IUPAC Name—
SMILESCCCCCCCC[Si](C)O
InChIInChI=1S/C9H21OSi/c1-3-4-5-6-7-8-9-11(2)10/h10H,3-9H2,1-2H3
InChIKeyWUTBAYNZRGBUGK-UHFFFAOYSA-N
XLogP2.96
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.35
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

CID 21462171
CID 21462171
CID 174866702
CID 174866702
CID 137150635
CID 137150635
methanol;undecane
CID 161373911
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
CID 161246447
CID 161246447
dohexacontane
CID 522644
decane;heptane
CID 159049036
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649
henoctacontane
CID 22086342

Frequently Asked Questions

What is the IUPAC name of methyloctylsiloxane?
The IUPAC name of methyloctylsiloxane (CID 21243982) is not available.
What is the SMILES notation for methyloctylsiloxane?
The canonical SMILES for methyloctylsiloxane is CCCCCCCC[Si](C)O.
What is the InChIKey of methyloctylsiloxane?
The InChIKey is WUTBAYNZRGBUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21OSi/c1-3-4-5-6-7-8-9-11(2)10/h10H,3-9H2,1-2H3.
What are the key properties of methyloctylsiloxane?
methyloctylsiloxane has a molecular weight of 173.35 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methyloctylsiloxane is sourced from PubChem (CID 21243982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).