heptyl-hydroxy-dimethylsilane

C9H22OSi — CID 12566780

IUPACheptyl-hydroxy-dimethylsilane
SMILESCCCCCCC[Si](C)(C)O
InChIInChI=1S/C9H22OSi/c1-4-5-6-7-8-9-11(2,3)10/h10H,4-9H2,1-3H3
InChIKeyFYRNJCODRFOOFX-UHFFFAOYSA-N
MW174.36 g/mol
LogP3.15
Rot. Bonds6

About heptyl-hydroxy-dimethylsilane

heptyl-hydroxy-dimethylsilane (PubChem CID 12566780) has the molecular formula C9H22OSi and a molecular weight of 174.36 g/mol. Its IUPAC name is heptyl-hydroxy-dimethylsilane.

Molecular Properties

Compound Nameheptyl-hydroxy-dimethylsilane
PubChem CID12566780
Molecular FormulaC9H22OSi
Molecular Weight174.36 g/mol
Exact Mass174.14
IUPAC Nameheptyl-hydroxy-dimethylsilane
SMILESCCCCCCC[Si](C)(C)O
InChIInChI=1S/C9H22OSi/c1-4-5-6-7-8-9-11(2,3)10/h10H,4-9H2,1-3H3
InChIKeyFYRNJCODRFOOFX-UHFFFAOYSA-N
XLogP3.15
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.36
LogP ≤ 53.15
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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Frequently Asked Questions

What is the IUPAC name of heptyl-hydroxy-dimethylsilane?
The IUPAC name of heptyl-hydroxy-dimethylsilane (CID 12566780) is heptyl-hydroxy-dimethylsilane.
What is the SMILES notation for heptyl-hydroxy-dimethylsilane?
The canonical SMILES for heptyl-hydroxy-dimethylsilane is CCCCCCC[Si](C)(C)O.
What is the InChIKey of heptyl-hydroxy-dimethylsilane?
The InChIKey is FYRNJCODRFOOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22OSi/c1-4-5-6-7-8-9-11(2,3)10/h10H,4-9H2,1-3H3.
What are the key properties of heptyl-hydroxy-dimethylsilane?
heptyl-hydroxy-dimethylsilane has a molecular weight of 174.36 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for heptyl-hydroxy-dimethylsilane is sourced from PubChem (CID 12566780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).