2-methyl-5-triethylsilyloxypent-2-enoic acid

C12H24O3Si — CID 57316614

IUPAC2-methyl-5-triethylsilyloxypent-2-enoic acid
SMILESCC[Si](CC)(CC)OCCC=C(C)C(=O)O
InChIInChI=1S/C12H24O3Si/c1-5-16(6-2,7-3)15-10-8-9-11(4)12(13)14/h9H,5-8,10H2,1-4H3,(H,13,14)
InChIKeyNEOSMYLPLMJEMJ-UHFFFAOYSA-N
MW244.41 g/mol
LogP3.43
Rot. Bonds8

About 2-methyl-5-triethylsilyloxypent-2-enoic acid

2-methyl-5-triethylsilyloxypent-2-enoic acid (PubChem CID 57316614) has the molecular formula C12H24O3Si and a molecular weight of 244.41 g/mol. Its IUPAC name is 2-methyl-5-triethylsilyloxypent-2-enoic acid.

Molecular Properties

Compound Name2-methyl-5-triethylsilyloxypent-2-enoic acid
PubChem CID57316614
Molecular FormulaC12H24O3Si
Molecular Weight244.41 g/mol
Exact Mass244.15
IUPAC Name2-methyl-5-triethylsilyloxypent-2-enoic acid
SMILESCC[Si](CC)(CC)OCCC=C(C)C(=O)O
InChIInChI=1S/C12H24O3Si/c1-5-16(6-2,7-3)15-10-8-9-11(4)12(13)14/h9H,5-8,10H2,1-4H3,(H,13,14)
InChIKeyNEOSMYLPLMJEMJ-UHFFFAOYSA-N
XLogP3.43
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.41
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-triethylsilyloxypent-2-enoic acid?
The IUPAC name of 2-methyl-5-triethylsilyloxypent-2-enoic acid (CID 57316614) is 2-methyl-5-triethylsilyloxypent-2-enoic acid.
What is the SMILES notation for 2-methyl-5-triethylsilyloxypent-2-enoic acid?
The canonical SMILES for 2-methyl-5-triethylsilyloxypent-2-enoic acid is CC[Si](CC)(CC)OCCC=C(C)C(=O)O.
What is the InChIKey of 2-methyl-5-triethylsilyloxypent-2-enoic acid?
The InChIKey is NEOSMYLPLMJEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3Si/c1-5-16(6-2,7-3)15-10-8-9-11(4)12(13)14/h9H,5-8,10H2,1-4H3,(H,13,14).
What are the key properties of 2-methyl-5-triethylsilyloxypent-2-enoic acid?
2-methyl-5-triethylsilyloxypent-2-enoic acid has a molecular weight of 244.41 g/mol, XLogP of 3.43, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-triethylsilyloxypent-2-enoic acid is sourced from PubChem (CID 57316614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).