1-O-prop-1-en-2-yl 4-O-trimethylsilyl butanedioate

C10H18O4Si — CID 552478

IUPAC1-O-prop-1-en-2-yl 4-O-trimethylsilyl butanedioate
SMILESC=C(C)OC(=O)CCC(=O)O[Si](C)(C)C
InChIInChI=1S/C10H18O4Si/c1-8(2)13-9(11)6-7-10(12)14-15(3,4)5/h1,6-7H2,2-5H3
InChIKeyPVGLKFODTZVSRM-UHFFFAOYSA-N
MW230.34 g/mol
LogP2.22
Rot. Bonds5

About 1-O-prop-1-en-2-yl 4-O-trimethylsilyl butanedioate

1-O-prop-1-en-2-yl 4-O-trimethylsilyl butanedioate (PubChem CID 552478) has the molecular formula C10H18O4Si and a molecular weight of 230.34 g/mol. Its IUPAC name is 1-O-prop-1-en-2-yl 4-O-trimethylsilyl butanedioate.

Molecular Properties

Compound Name1-O-prop-1-en-2-yl 4-O-trimethylsilyl butanedioate
PubChem CID552478
Molecular FormulaC10H18O4Si
Molecular Weight230.34 g/mol
Exact Mass230.10
IUPAC Name1-O-prop-1-en-2-yl 4-O-trimethylsilyl butanedioate
SMILESC=C(C)OC(=O)CCC(=O)O[Si](C)(C)C
InChIInChI=1S/C10H18O4Si/c1-8(2)13-9(11)6-7-10(12)14-15(3,4)5/h1,6-7H2,2-5H3
InChIKeyPVGLKFODTZVSRM-UHFFFAOYSA-N
XLogP2.22
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.34
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-O-prop-1-en-2-yl 4-O-trimethylsilyl butanedioate?
The IUPAC name of 1-O-prop-1-en-2-yl 4-O-trimethylsilyl butanedioate (CID 552478) is 1-O-prop-1-en-2-yl 4-O-trimethylsilyl butanedioate.
What is the SMILES notation for 1-O-prop-1-en-2-yl 4-O-trimethylsilyl butanedioate?
The canonical SMILES for 1-O-prop-1-en-2-yl 4-O-trimethylsilyl butanedioate is C=C(C)OC(=O)CCC(=O)O[Si](C)(C)C.
What is the InChIKey of 1-O-prop-1-en-2-yl 4-O-trimethylsilyl butanedioate?
The InChIKey is PVGLKFODTZVSRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4Si/c1-8(2)13-9(11)6-7-10(12)14-15(3,4)5/h1,6-7H2,2-5H3.
What are the key properties of 1-O-prop-1-en-2-yl 4-O-trimethylsilyl butanedioate?
1-O-prop-1-en-2-yl 4-O-trimethylsilyl butanedioate has a molecular weight of 230.34 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-prop-1-en-2-yl 4-O-trimethylsilyl butanedioate is sourced from PubChem (CID 552478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).