Methyl-hexylsiloxane

C7H17OSi — CID 54103071

IUPAC—
SMILESCCCCCC[Si](C)O
InChIInChI=1S/C7H17OSi/c1-3-4-5-6-7-9(2)8/h8H,3-7H2,1-2H3
InChIKeyIQSYSMTWSHRMIX-UHFFFAOYSA-N
MW145.30 g/mol
LogP2.18
Rot. Bonds5

About Methyl-hexylsiloxane

Methyl-hexylsiloxane (PubChem CID 54103071) has the molecular formula C7H17OSi and a molecular weight of 145.30 g/mol.

Molecular Properties

Compound NameMethyl-hexylsiloxane
PubChem CID54103071
Molecular FormulaC7H17OSi
Molecular Weight145.30 g/mol
Exact Mass145.10
IUPAC Name—
SMILESCCCCCC[Si](C)O
InChIInChI=1S/C7H17OSi/c1-3-4-5-6-7-9(2)8/h8H,3-7H2,1-2H3
InChIKeyIQSYSMTWSHRMIX-UHFFFAOYSA-N
XLogP2.18
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.30
LogP ≤ 52.18
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

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CID 123577696
CID 123577696
CID 86173953
CID 86173953
CID 87672937
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CID 12566780
CID 12566780
CID 18323236
CID 18323236
CID 18977358
CID 18977358
CID 19901670
CID 19901670
CID 19901682
CID 19901682

Frequently Asked Questions

What is the IUPAC name of Methyl-hexylsiloxane?
The IUPAC name of Methyl-hexylsiloxane (CID 54103071) is not available.
What is the SMILES notation for Methyl-hexylsiloxane?
The canonical SMILES for Methyl-hexylsiloxane is CCCCCC[Si](C)O.
What is the InChIKey of Methyl-hexylsiloxane?
The InChIKey is IQSYSMTWSHRMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17OSi/c1-3-4-5-6-7-9(2)8/h8H,3-7H2,1-2H3.
What are the key properties of Methyl-hexylsiloxane?
Methyl-hexylsiloxane has a molecular weight of 145.30 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for Methyl-hexylsiloxane is sourced from PubChem (CID 54103071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).