buta-1,3-diynyl(trimethoxy)silane

C7H10O3Si — CID 139613157

IUPACbuta-1,3-diynyl(trimethoxy)silane
SMILESC#CC#C[Si](OC)(OC)OC
InChIInChI=1S/C7H10O3Si/c1-5-6-7-11(8-2,9-3)10-4/h1H,2-4H3
InChIKeyHWCIFUPOCJTHNL-UHFFFAOYSA-N
MW170.24 g/mol
LogP0.04
Rot. Bonds3

About buta-1,3-diynyl(trimethoxy)silane

buta-1,3-diynyl(trimethoxy)silane (PubChem CID 139613157) has the molecular formula C7H10O3Si and a molecular weight of 170.24 g/mol. Its IUPAC name is buta-1,3-diynyl(trimethoxy)silane.

Molecular Properties

Compound Namebuta-1,3-diynyl(trimethoxy)silane
PubChem CID139613157
Molecular FormulaC7H10O3Si
Molecular Weight170.24 g/mol
Exact Mass170.04
IUPAC Namebuta-1,3-diynyl(trimethoxy)silane
SMILESC#CC#C[Si](OC)(OC)OC
InChIInChI=1S/C7H10O3Si/c1-5-6-7-11(8-2,9-3)10-4/h1H,2-4H3
InChIKeyHWCIFUPOCJTHNL-UHFFFAOYSA-N
XLogP0.04
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.24
LogP ≤ 50.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of buta-1,3-diynyl(trimethoxy)silane?
The IUPAC name of buta-1,3-diynyl(trimethoxy)silane (CID 139613157) is buta-1,3-diynyl(trimethoxy)silane.
What is the SMILES notation for buta-1,3-diynyl(trimethoxy)silane?
The canonical SMILES for buta-1,3-diynyl(trimethoxy)silane is C#CC#C[Si](OC)(OC)OC.
What is the InChIKey of buta-1,3-diynyl(trimethoxy)silane?
The InChIKey is HWCIFUPOCJTHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3Si/c1-5-6-7-11(8-2,9-3)10-4/h1H,2-4H3.
What are the key properties of buta-1,3-diynyl(trimethoxy)silane?
buta-1,3-diynyl(trimethoxy)silane has a molecular weight of 170.24 g/mol, XLogP of 0.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for buta-1,3-diynyl(trimethoxy)silane is sourced from PubChem (CID 139613157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).