trimethoxy-[3-(3-methylbuta-1,3-dien-2-yloxy)propyl]silane

C11H22O4Si — CID 58079222

IUPACtrimethoxy-[3-(3-methylbuta-1,3-dien-2-yloxy)propyl]silane
SMILESC=C(C)C(=C)OCCC[Si](OC)(OC)OC
InChIInChI=1S/C11H22O4Si/c1-10(2)11(3)15-8-7-9-16(12-4,13-5)14-6/h1,3,7-9H2,2,4-6H3
InChIKeyVXGMDDNTAXPPBU-UHFFFAOYSA-N
MW246.38 g/mol
LogP2.36
Rot. Bonds9

About trimethoxy-[3-(3-methylbuta-1,3-dien-2-yloxy)propyl]silane

trimethoxy-[3-(3-methylbuta-1,3-dien-2-yloxy)propyl]silane (PubChem CID 58079222) has the molecular formula C11H22O4Si and a molecular weight of 246.38 g/mol. Its IUPAC name is trimethoxy-[3-(3-methylbuta-1,3-dien-2-yloxy)propyl]silane.

Molecular Properties

Compound Nametrimethoxy-[3-(3-methylbuta-1,3-dien-2-yloxy)propyl]silane
PubChem CID58079222
Molecular FormulaC11H22O4Si
Molecular Weight246.38 g/mol
Exact Mass246.13
IUPAC Nametrimethoxy-[3-(3-methylbuta-1,3-dien-2-yloxy)propyl]silane
SMILESC=C(C)C(=C)OCCC[Si](OC)(OC)OC
InChIInChI=1S/C11H22O4Si/c1-10(2)11(3)15-8-7-9-16(12-4,13-5)14-6/h1,3,7-9H2,2,4-6H3
InChIKeyVXGMDDNTAXPPBU-UHFFFAOYSA-N
XLogP2.36
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethoxy-[3-(3-methylbuta-1,3-dien-2-yloxy)propyl]silane?
The IUPAC name of trimethoxy-[3-(3-methylbuta-1,3-dien-2-yloxy)propyl]silane (CID 58079222) is trimethoxy-[3-(3-methylbuta-1,3-dien-2-yloxy)propyl]silane.
What is the SMILES notation for trimethoxy-[3-(3-methylbuta-1,3-dien-2-yloxy)propyl]silane?
The canonical SMILES for trimethoxy-[3-(3-methylbuta-1,3-dien-2-yloxy)propyl]silane is C=C(C)C(=C)OCCC[Si](OC)(OC)OC.
What is the InChIKey of trimethoxy-[3-(3-methylbuta-1,3-dien-2-yloxy)propyl]silane?
The InChIKey is VXGMDDNTAXPPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O4Si/c1-10(2)11(3)15-8-7-9-16(12-4,13-5)14-6/h1,3,7-9H2,2,4-6H3.
What are the key properties of trimethoxy-[3-(3-methylbuta-1,3-dien-2-yloxy)propyl]silane?
trimethoxy-[3-(3-methylbuta-1,3-dien-2-yloxy)propyl]silane has a molecular weight of 246.38 g/mol, XLogP of 2.36, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethoxy-[3-(3-methylbuta-1,3-dien-2-yloxy)propyl]silane is sourced from PubChem (CID 58079222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).