(E)-2-methyl-4-trimethoxysilylpent-2-enoate

C9H17O5Si- — CID 23513483

IUPAC(E)-2-methyl-4-trimethoxysilylpent-2-enoate
SMILESCO[Si](OC)(OC)C(C)/C=C(\C)C(=O)[O-]
InChIInChI=1S/C9H18O5Si/c1-7(9(10)11)6-8(2)15(12-3,13-4)14-5/h6,8H,1-5H3,(H,10,11)/p-1/b7-6+
InChIKeyXOIQPSLQZPHKGW-VOTSOKGWSA-M
MW233.32 g/mol
LogP-0.05
Rot. Bonds6

About (E)-2-methyl-4-trimethoxysilylpent-2-enoate

(E)-2-methyl-4-trimethoxysilylpent-2-enoate (PubChem CID 23513483) has the molecular formula C9H17O5Si- and a molecular weight of 233.32 g/mol. Its IUPAC name is (E)-2-methyl-4-trimethoxysilylpent-2-enoate.

Molecular Properties

Compound Name(E)-2-methyl-4-trimethoxysilylpent-2-enoate
PubChem CID23513483
Molecular FormulaC9H17O5Si-
Molecular Weight233.32 g/mol
Exact Mass233.09
IUPAC Name(E)-2-methyl-4-trimethoxysilylpent-2-enoate
SMILESCO[Si](OC)(OC)C(C)/C=C(\C)C(=O)[O-]
InChIInChI=1S/C9H18O5Si/c1-7(9(10)11)6-8(2)15(12-3,13-4)14-5/h6,8H,1-5H3,(H,10,11)/p-1/b7-6+
InChIKeyXOIQPSLQZPHKGW-VOTSOKGWSA-M
XLogP-0.05
TPSA67.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 5-0.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

(2E,5E)-4-ethyl-2,6-dimethylhepta-2,5-dienedioate
CID 22364042
2-methylbut-2-enoate
CID 20982153
2-trimethoxysilylpropanoic acid
CID 19100244
2-trimethoxysilylpropanethial
CID 87594272
gallium tris((Z)-2-methylbut-2-enoate)
CID 175178881
tripotassium;methoxy(trioxido)silane;propan-2-one
CID 174431992
sodium 6-methoxy-2,5-dimethyl-6-oxohexa-2,4-dienoate
CID 174385206
dipotassium;1,1-dimethoxyethane;carbonate
CID 174946253
(E)-5-methoxy-3-methylhex-3-en-2-one
CID 87291247
(Z)-4-hydroxy-2-methyl-4-oxobut-2-enoate
CID 22608878
bis(antimony(3+));tris((Z)-2-methylbut-2-enedioate)
CID 160759783
1-trimethoxysilylethyl 2-chloroprop-2-enoate
CID 88820893

Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-4-trimethoxysilylpent-2-enoate?
The IUPAC name of (E)-2-methyl-4-trimethoxysilylpent-2-enoate (CID 23513483) is (E)-2-methyl-4-trimethoxysilylpent-2-enoate.
What is the SMILES notation for (E)-2-methyl-4-trimethoxysilylpent-2-enoate?
The canonical SMILES for (E)-2-methyl-4-trimethoxysilylpent-2-enoate is CO[Si](OC)(OC)C(C)/C=C(\C)C(=O)[O-].
What is the InChIKey of (E)-2-methyl-4-trimethoxysilylpent-2-enoate?
The InChIKey is XOIQPSLQZPHKGW-VOTSOKGWSA-M. The full InChI is InChI=1S/C9H18O5Si/c1-7(9(10)11)6-8(2)15(12-3,13-4)14-5/h6,8H,1-5H3,(H,10,11)/p-1/b7-6+.
What are the key properties of (E)-2-methyl-4-trimethoxysilylpent-2-enoate?
(E)-2-methyl-4-trimethoxysilylpent-2-enoate has a molecular weight of 233.32 g/mol, XLogP of -0.05, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-4-trimethoxysilylpent-2-enoate is sourced from PubChem (CID 23513483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).