2,2-dimethoxybut-3-enoxysilane

C6H14O3Si — CID 123461091

IUPAC2,2-dimethoxybut-3-enoxysilane
SMILESC=CC(CO[SiH3])(OC)OC
InChIInChI=1S/C6H14O3Si/c1-4-6(7-2,8-3)5-9-10/h4H,1,5H2,2-3,10H3
InChIKeyKCIREPOJRGCNRJ-UHFFFAOYSA-N
MW162.26 g/mol
LogP-0.54
Rot. Bonds5

About 2,2-dimethoxybut-3-enoxysilane

2,2-dimethoxybut-3-enoxysilane (PubChem CID 123461091) has the molecular formula C6H14O3Si and a molecular weight of 162.26 g/mol. Its IUPAC name is 2,2-dimethoxybut-3-enoxysilane.

Molecular Properties

Compound Name2,2-dimethoxybut-3-enoxysilane
PubChem CID123461091
Molecular FormulaC6H14O3Si
Molecular Weight162.26 g/mol
Exact Mass162.07
IUPAC Name2,2-dimethoxybut-3-enoxysilane
SMILESC=CC(CO[SiH3])(OC)OC
InChIInChI=1S/C6H14O3Si/c1-4-6(7-2,8-3)5-9-10/h4H,1,5H2,2-3,10H3
InChIKeyKCIREPOJRGCNRJ-UHFFFAOYSA-N
XLogP-0.54
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.26
LogP ≤ 5-0.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Related Compounds

(2-ethenyl-2-methylhexoxy)silane
CID 123196667
1,1-dimethoxybut-3-enoxysilane
CID 172998295
3,3-bis(prop-2-enoxy)penta-1,4-diene
CID 11769137
3-methylpenta-1,4-dien-3-yloxysilane
CID 123747545
(2-cyclohexyl-2,2-dimethoxyethoxy)silane
CID 175185945
1,3-bis(ethenoxy)-2,2-dimethylpropane
CID 3019753
4-methoxy-4-prop-2-enylhepta-1,6-diene
CID 164754119
(2,2-dibutoxy-2-methoxyethoxy)silane
CID 123763254
2-methoxy-2-methylbut-3-enoic acid
CID 164724816
but-1-ene;silyloxysilane
CID 174887933
2,6-dimethoxyoct-7-ene-2,6-diol
CID 100933966
1,1,2-trimethoxyethoxysilane
CID 173008155

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethoxybut-3-enoxysilane?
The IUPAC name of 2,2-dimethoxybut-3-enoxysilane (CID 123461091) is 2,2-dimethoxybut-3-enoxysilane.
What is the SMILES notation for 2,2-dimethoxybut-3-enoxysilane?
The canonical SMILES for 2,2-dimethoxybut-3-enoxysilane is C=CC(CO[SiH3])(OC)OC.
What is the InChIKey of 2,2-dimethoxybut-3-enoxysilane?
The InChIKey is KCIREPOJRGCNRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O3Si/c1-4-6(7-2,8-3)5-9-10/h4H,1,5H2,2-3,10H3.
What are the key properties of 2,2-dimethoxybut-3-enoxysilane?
2,2-dimethoxybut-3-enoxysilane has a molecular weight of 162.26 g/mol, XLogP of -0.54, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethoxybut-3-enoxysilane is sourced from PubChem (CID 123461091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).