heptan-2-yloxy-dimethyl-propoxysilane

C12H28O2Si — CID 91723694

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

About heptan-2-yloxy-dimethyl-propoxysilane

heptan-2-yloxy-dimethyl-propoxysilane (PubChem CID 91723694) has the molecular formula C12H28O2Si and a molecular weight of 232.44 g/mol. Its IUPAC name is heptan-2-yloxy-dimethyl-propoxysilane.

Molecular Properties

Compound Nameheptan-2-yloxy-dimethyl-propoxysilane
PubChem CID91723694
Molecular FormulaC12H28O2Si
Molecular Weight232.44 g/mol
Exact Mass232.19
IUPAC Nameheptan-2-yloxy-dimethyl-propoxysilane
SMILESCCCCCC(C)O[Si](C)(C)OCCC
InChIInChI=1S/C12H28O2Si/c1-6-8-9-10-12(3)14-15(4,5)13-11-7-2/h12H,6-11H2,1-5H3
InChIKeyNTZMBJIONWXFAY-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(Cyclohexyloxy)trimethylsilane
CID 262864
(Hexyloxy)trimethylsilane
CID 519489
Silane, trimethyl[(1-methylheptyl)oxy]-
CID 519505
Silane, (heptyloxy)trimethyl-
CID 519521
Dihexyloxydimethylsilane
CID 525745
Silane, (1,1-dimethylethyl)dimethyl[(1-methylhexyl)oxy]-
CID 6430228
Silane, dimethyldi(2-octyloxy)-
CID 85708223
Silane, dimethyldi(2-heptyloxy)-
CID 85694061
Dimethyl-di-2-pentoxysilane
CID 85844809
Silane, trimethyl(3-octyloxy)-
CID 552935
Dimethylsilyloxycyclohexane
CID 6329285
3-Trimethylsilyloxy-1-octyne
CID 12581365

Frequently Asked Questions

What is the IUPAC name of heptan-2-yloxy-dimethyl-propoxysilane?
The IUPAC name of heptan-2-yloxy-dimethyl-propoxysilane (CID 91723694) is heptan-2-yloxy-dimethyl-propoxysilane.
What is the SMILES notation for heptan-2-yloxy-dimethyl-propoxysilane?
The canonical SMILES for heptan-2-yloxy-dimethyl-propoxysilane is CCCCCC(C)O[Si](C)(C)OCCC.
What is the InChIKey of heptan-2-yloxy-dimethyl-propoxysilane?
The InChIKey is NTZMBJIONWXFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28O2Si/c1-6-8-9-10-12(3)14-15(4,5)13-11-7-2/h12H,6-11H2,1-5H3.
What are the key properties of heptan-2-yloxy-dimethyl-propoxysilane?
heptan-2-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-2-yloxy-dimethyl-propoxysilane is sourced from PubChem (CID 91723694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).