[ethyl(propan-2-yl)silyl] buta-2,3-dienoate

C9H16O2Si — CID 123649835

IUPAC[ethyl(propan-2-yl)silyl] buta-2,3-dienoate
SMILESC=C=CC(=O)O[SiH](CC)C(C)C
InChIInChI=1S/C9H16O2Si/c1-5-7-9(10)11-12(6-2)8(3)4/h7-8,12H,1,6H2,2-4H3
InChIKeyZSAQMNTZOYXCDX-UHFFFAOYSA-N
MW184.31 g/mol
LogP2.02
Rot. Bonds4

About [ethyl(propan-2-yl)silyl] buta-2,3-dienoate

[ethyl(propan-2-yl)silyl] buta-2,3-dienoate (PubChem CID 123649835) has the molecular formula C9H16O2Si and a molecular weight of 184.31 g/mol. Its IUPAC name is [ethyl(propan-2-yl)silyl] buta-2,3-dienoate.

Molecular Properties

Compound Name[ethyl(propan-2-yl)silyl] buta-2,3-dienoate
PubChem CID123649835
Molecular FormulaC9H16O2Si
Molecular Weight184.31 g/mol
Exact Mass184.09
IUPAC Name[ethyl(propan-2-yl)silyl] buta-2,3-dienoate
SMILESC=C=CC(=O)O[SiH](CC)C(C)C
InChIInChI=1S/C9H16O2Si/c1-5-7-9(10)11-12(6-2)8(3)4/h7-8,12H,1,6H2,2-4H3
InChIKeyZSAQMNTZOYXCDX-UHFFFAOYSA-N
XLogP2.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.31
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-methylpropyl buta-2,3-dienoate
CID 86045289
1-methoxyethyl buta-2,3-dienoate
CID 21057454
1-(2-methylhexoxy)ethyl buta-2,3-dienoate
CID 91107431
silyl buta-2,3-dienoate
CID 174913933
methylsilyl buta-2,3-dienoate
CID 123240831
3-ethoxypropyl buta-2,3-dienoate
CID 90940644
di(propan-2-yl)silyloxy-ethyl-propan-2-ylsilane
CID 154004117
2-prop-1-en-2-yloxyhexa-4,5-dien-3-one
CID 90694750
octa-1,2-dien-4-one
CID 11194330
aziridin-1-yl buta-2,3-dienoate
CID 22966692
5-ethylnona-1,2-dien-4-one
CID 174600956
trihydroxy(propanoyl)phosphanium
CID 56636058

Frequently Asked Questions

What is the IUPAC name of [ethyl(propan-2-yl)silyl] buta-2,3-dienoate?
The IUPAC name of [ethyl(propan-2-yl)silyl] buta-2,3-dienoate (CID 123649835) is [ethyl(propan-2-yl)silyl] buta-2,3-dienoate.
What is the SMILES notation for [ethyl(propan-2-yl)silyl] buta-2,3-dienoate?
The canonical SMILES for [ethyl(propan-2-yl)silyl] buta-2,3-dienoate is C=C=CC(=O)O[SiH](CC)C(C)C.
What is the InChIKey of [ethyl(propan-2-yl)silyl] buta-2,3-dienoate?
The InChIKey is ZSAQMNTZOYXCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2Si/c1-5-7-9(10)11-12(6-2)8(3)4/h7-8,12H,1,6H2,2-4H3.
What are the key properties of [ethyl(propan-2-yl)silyl] buta-2,3-dienoate?
[ethyl(propan-2-yl)silyl] buta-2,3-dienoate has a molecular weight of 184.31 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [ethyl(propan-2-yl)silyl] buta-2,3-dienoate is sourced from PubChem (CID 123649835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).