heptan-3-yloxy-dimethyl-propoxysilane

C12H28O2Si — CID 91709967

IUPACheptan-3-yloxy-dimethyl-propoxysilane
SMILESCCCCC(CC)O[Si](C)(C)OCCC
InChIInChI=1S/C12H28O2Si/c1-6-9-10-12(8-3)14-15(4,5)13-11-7-2/h12H,6-11H2,1-5H3
InChIKeyBMFGPLSQCRBOGQ-UHFFFAOYSA-N
MW232.44 g/mol
LogP4.10
Rot. Bonds9

About heptan-3-yloxy-dimethyl-propoxysilane

heptan-3-yloxy-dimethyl-propoxysilane (PubChem CID 91709967) has the molecular formula C12H28O2Si and a molecular weight of 232.44 g/mol. Its IUPAC name is heptan-3-yloxy-dimethyl-propoxysilane.

Molecular Properties

Compound Nameheptan-3-yloxy-dimethyl-propoxysilane
PubChem CID91709967
Molecular FormulaC12H28O2Si
Molecular Weight232.44 g/mol
Exact Mass232.19
IUPAC Nameheptan-3-yloxy-dimethyl-propoxysilane
SMILESCCCCC(CC)O[Si](C)(C)OCCC
InChIInChI=1S/C12H28O2Si/c1-6-9-10-12(8-3)14-15(4,5)13-11-7-2/h12H,6-11H2,1-5H3
InChIKeyBMFGPLSQCRBOGQ-UHFFFAOYSA-N
XLogP4.10
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.44
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 heptan-3-yloxy-dimethyl-propoxysilane?
The IUPAC name of heptan-3-yloxy-dimethyl-propoxysilane (CID 91709967) is heptan-3-yloxy-dimethyl-propoxysilane.
What is the SMILES notation for heptan-3-yloxy-dimethyl-propoxysilane?
The canonical SMILES for heptan-3-yloxy-dimethyl-propoxysilane is CCCCC(CC)O[Si](C)(C)OCCC.
What is the InChIKey of heptan-3-yloxy-dimethyl-propoxysilane?
The InChIKey is BMFGPLSQCRBOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28O2Si/c1-6-9-10-12(8-3)14-15(4,5)13-11-7-2/h12H,6-11H2,1-5H3.
What are the key properties of heptan-3-yloxy-dimethyl-propoxysilane?
heptan-3-yloxy-dimethyl-propoxysilane has a molecular weight of 232.44 g/mol, XLogP of 4.10, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for heptan-3-yloxy-dimethyl-propoxysilane is sourced from PubChem (CID 91709967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).