1,1,1-trimethoxybut-3-en-2-yloxysilane

C7H16O4Si — CID 123847608

IUPAC1,1,1-trimethoxybut-3-en-2-yloxysilane
SMILESC=CC(O[SiH3])C(OC)(OC)OC
InChIInChI=1S/C7H16O4Si/c1-5-6(11-12)7(8-2,9-3)10-4/h5-6H,1H2,2-4,12H3
InChIKeyJNZPVZZIGWQKHN-UHFFFAOYSA-N
MW192.29 g/mol
LogP-0.57
Rot. Bonds6

About 1,1,1-trimethoxybut-3-en-2-yloxysilane

1,1,1-trimethoxybut-3-en-2-yloxysilane (PubChem CID 123847608) has the molecular formula C7H16O4Si and a molecular weight of 192.29 g/mol. Its IUPAC name is 1,1,1-trimethoxybut-3-en-2-yloxysilane.

Molecular Properties

Compound Name1,1,1-trimethoxybut-3-en-2-yloxysilane
PubChem CID123847608
Molecular FormulaC7H16O4Si
Molecular Weight192.29 g/mol
Exact Mass192.08
IUPAC Name1,1,1-trimethoxybut-3-en-2-yloxysilane
SMILESC=CC(O[SiH3])C(OC)(OC)OC
InChIInChI=1S/C7H16O4Si/c1-5-6(11-12)7(8-2,9-3)10-4/h5-6H,1H2,2-4,12H3
InChIKeyJNZPVZZIGWQKHN-UHFFFAOYSA-N
XLogP-0.57
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.29
LogP ≤ 5-0.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trimethoxybut-3-en-2-yloxysilane?
The IUPAC name of 1,1,1-trimethoxybut-3-en-2-yloxysilane (CID 123847608) is 1,1,1-trimethoxybut-3-en-2-yloxysilane.
What is the SMILES notation for 1,1,1-trimethoxybut-3-en-2-yloxysilane?
The canonical SMILES for 1,1,1-trimethoxybut-3-en-2-yloxysilane is C=CC(O[SiH3])C(OC)(OC)OC.
What is the InChIKey of 1,1,1-trimethoxybut-3-en-2-yloxysilane?
The InChIKey is JNZPVZZIGWQKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O4Si/c1-5-6(11-12)7(8-2,9-3)10-4/h5-6H,1H2,2-4,12H3.
What are the key properties of 1,1,1-trimethoxybut-3-en-2-yloxysilane?
1,1,1-trimethoxybut-3-en-2-yloxysilane has a molecular weight of 192.29 g/mol, XLogP of -0.57, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trimethoxybut-3-en-2-yloxysilane is sourced from PubChem (CID 123847608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).