2-dimethylsilyloxy-3-ethyl-4,4-dimethylpent-2-enoic acid

C11H22O3Si — CID 173316800

IUPAC2-dimethylsilyloxy-3-ethyl-4,4-dimethylpent-2-enoic acid
SMILESCCC(=C(O[SiH](C)C)C(=O)O)C(C)(C)C
InChIInChI=1S/C11H22O3Si/c1-7-8(11(2,3)4)9(10(12)13)14-15(5)6/h15H,7H2,1-6H3,(H,12,13)
InChIKeyYGMAVRQBLGEROW-UHFFFAOYSA-N
MW230.38 g/mol
LogP2.78
Rot. Bonds4

About 2-dimethylsilyloxy-3-ethyl-4,4-dimethylpent-2-enoic acid

2-dimethylsilyloxy-3-ethyl-4,4-dimethylpent-2-enoic acid (PubChem CID 173316800) has the molecular formula C11H22O3Si and a molecular weight of 230.38 g/mol. Its IUPAC name is 2-dimethylsilyloxy-3-ethyl-4,4-dimethylpent-2-enoic acid.

Molecular Properties

Compound Name2-dimethylsilyloxy-3-ethyl-4,4-dimethylpent-2-enoic acid
PubChem CID173316800
Molecular FormulaC11H22O3Si
Molecular Weight230.38 g/mol
Exact Mass230.13
IUPAC Name2-dimethylsilyloxy-3-ethyl-4,4-dimethylpent-2-enoic acid
SMILESCCC(=C(O[SiH](C)C)C(=O)O)C(C)(C)C
InChIInChI=1S/C11H22O3Si/c1-7-8(11(2,3)4)9(10(12)13)14-15(5)6/h15H,7H2,1-6H3,(H,12,13)
InChIKeyYGMAVRQBLGEROW-UHFFFAOYSA-N
XLogP2.78
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', '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-dimethylsilyloxy-3-ethyl-4,4-dimethylpent-2-enoic acid?
The IUPAC name of 2-dimethylsilyloxy-3-ethyl-4,4-dimethylpent-2-enoic acid (CID 173316800) is 2-dimethylsilyloxy-3-ethyl-4,4-dimethylpent-2-enoic acid.
What is the SMILES notation for 2-dimethylsilyloxy-3-ethyl-4,4-dimethylpent-2-enoic acid?
The canonical SMILES for 2-dimethylsilyloxy-3-ethyl-4,4-dimethylpent-2-enoic acid is CCC(=C(O[SiH](C)C)C(=O)O)C(C)(C)C.
What is the InChIKey of 2-dimethylsilyloxy-3-ethyl-4,4-dimethylpent-2-enoic acid?
The InChIKey is YGMAVRQBLGEROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3Si/c1-7-8(11(2,3)4)9(10(12)13)14-15(5)6/h15H,7H2,1-6H3,(H,12,13).
What are the key properties of 2-dimethylsilyloxy-3-ethyl-4,4-dimethylpent-2-enoic acid?
2-dimethylsilyloxy-3-ethyl-4,4-dimethylpent-2-enoic acid has a molecular weight of 230.38 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dimethylsilyloxy-3-ethyl-4,4-dimethylpent-2-enoic acid is sourced from PubChem (CID 173316800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).