butoxy-dimethoxy-methylsilane

C7H18O3Si — CID 54136554

IUPACbutoxy-dimethoxy-methylsilane
SMILESCCCCO[Si](C)(OC)OC
InChIInChI=1S/C7H18O3Si/c1-5-6-7-10-11(4,8-2)9-3/h5-7H2,1-4H3
InChIKeyNYCQTUHDRKXIMP-UHFFFAOYSA-N
MW178.30 g/mol
LogP1.66
Rot. Bonds6

About butoxy-dimethoxy-methylsilane

butoxy-dimethoxy-methylsilane (PubChem CID 54136554) has the molecular formula C7H18O3Si and a molecular weight of 178.30 g/mol. Its IUPAC name is butoxy-dimethoxy-methylsilane.

Molecular Properties

Compound Namebutoxy-dimethoxy-methylsilane
PubChem CID54136554
Molecular FormulaC7H18O3Si
Molecular Weight178.30 g/mol
Exact Mass178.10
IUPAC Namebutoxy-dimethoxy-methylsilane
SMILESCCCCO[Si](C)(OC)OC
InChIInChI=1S/C7H18O3Si/c1-5-6-7-10-11(4,8-2)9-3/h5-7H2,1-4H3
InChIKeyNYCQTUHDRKXIMP-UHFFFAOYSA-N
XLogP1.66
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.30
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

dibutoxy-methoxy-methylsilane
CID 525738
triheptoxy(methyl)silane
CID 525768
tri(icosoxy)-methylsilane
CID 163923848
3-[butoxy(dimethoxy)silyl]oxypropyl butyl dimethyl silicate
CID 141205267
ethoxy-dimethoxy-methylsilane
CID 15798621
butoxy-iodo-dimethylsilane
CID 88777497
butoxy-butyl-dimethoxysilane
CID 139714527
methyl tripentyl silicate
CID 524731
dibutoxy-[4-[dibutoxy(methyl)silyl]butyl]-methylsilane
CID 87144867
tributyl pentyl silicate
CID 524737
dibutyl dipentyl silicate
CID 524713
tris(3-methoxypropoxy)-methylsilane
CID 22077446

Frequently Asked Questions

What is the IUPAC name of butoxy-dimethoxy-methylsilane?
The IUPAC name of butoxy-dimethoxy-methylsilane (CID 54136554) is butoxy-dimethoxy-methylsilane.
What is the SMILES notation for butoxy-dimethoxy-methylsilane?
The canonical SMILES for butoxy-dimethoxy-methylsilane is CCCCO[Si](C)(OC)OC.
What is the InChIKey of butoxy-dimethoxy-methylsilane?
The InChIKey is NYCQTUHDRKXIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18O3Si/c1-5-6-7-10-11(4,8-2)9-3/h5-7H2,1-4H3.
What are the key properties of butoxy-dimethoxy-methylsilane?
butoxy-dimethoxy-methylsilane has a molecular weight of 178.30 g/mol, XLogP of 1.66, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butoxy-dimethoxy-methylsilane is sourced from PubChem (CID 54136554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).