2-trimethylsilylethyl 5-hydroxypent-4-enoate

C10H20O3Si — CID 72658611

IUPAC2-trimethylsilylethyl 5-hydroxypent-4-enoate
SMILESC[Si](C)(C)CCOC(=O)CCC=CO
InChIInChI=1S/C10H20O3Si/c1-14(2,3)9-8-13-10(12)6-4-5-7-11/h5,7,11H,4,6,8-9H2,1-3H3
InChIKeyWCMSPRVLLKCRKH-UHFFFAOYSA-N
MW216.35 g/mol
LogP2.72
Rot. Bonds6

About 2-trimethylsilylethyl 5-hydroxypent-4-enoate

2-trimethylsilylethyl 5-hydroxypent-4-enoate (PubChem CID 72658611) has the molecular formula C10H20O3Si and a molecular weight of 216.35 g/mol. Its IUPAC name is 2-trimethylsilylethyl 5-hydroxypent-4-enoate.

Molecular Properties

Compound Name2-trimethylsilylethyl 5-hydroxypent-4-enoate
PubChem CID72658611
Molecular FormulaC10H20O3Si
Molecular Weight216.35 g/mol
Exact Mass216.12
IUPAC Name2-trimethylsilylethyl 5-hydroxypent-4-enoate
SMILESC[Si](C)(C)CCOC(=O)CCC=CO
InChIInChI=1S/C10H20O3Si/c1-14(2,3)9-8-13-10(12)6-4-5-7-11/h5,7,11H,4,6,8-9H2,1-3H3
InChIKeyWCMSPRVLLKCRKH-UHFFFAOYSA-N
XLogP2.72
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-trimethylsilylethyl 5-hydroxypent-4-enoate?
The IUPAC name of 2-trimethylsilylethyl 5-hydroxypent-4-enoate (CID 72658611) is 2-trimethylsilylethyl 5-hydroxypent-4-enoate.
What is the SMILES notation for 2-trimethylsilylethyl 5-hydroxypent-4-enoate?
The canonical SMILES for 2-trimethylsilylethyl 5-hydroxypent-4-enoate is C[Si](C)(C)CCOC(=O)CCC=CO.
What is the InChIKey of 2-trimethylsilylethyl 5-hydroxypent-4-enoate?
The InChIKey is WCMSPRVLLKCRKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3Si/c1-14(2,3)9-8-13-10(12)6-4-5-7-11/h5,7,11H,4,6,8-9H2,1-3H3.
What are the key properties of 2-trimethylsilylethyl 5-hydroxypent-4-enoate?
2-trimethylsilylethyl 5-hydroxypent-4-enoate has a molecular weight of 216.35 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylethyl 5-hydroxypent-4-enoate is sourced from PubChem (CID 72658611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).