(Z)-3-iodo-3-trimethylsilylprop-2-enoic acid

C6H11IO2Si — CID 11071791

IUPAC(Z)-3-iodo-3-trimethylsilylprop-2-enoic acid
SMILESC[Si](C)(C)/C(I)=C/C(=O)O
InChIInChI=1S/C6H11IO2Si/c1-10(2,3)5(7)4-6(8)9/h4H,1-3H3,(H,8,9)/b5-4+
InChIKeyVXGPIOOSLGFTPR-SNAWJCMRSA-N
MW270.14 g/mol
LogP2.27
Rot. Bonds2

About (Z)-3-iodo-3-trimethylsilylprop-2-enoic acid

(Z)-3-iodo-3-trimethylsilylprop-2-enoic acid (PubChem CID 11071791) has the molecular formula C6H11IO2Si and a molecular weight of 270.14 g/mol. Its IUPAC name is (Z)-3-iodo-3-trimethylsilylprop-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-iodo-3-trimethylsilylprop-2-enoic acid
PubChem CID11071791
Molecular FormulaC6H11IO2Si
Molecular Weight270.14 g/mol
Exact Mass269.96
IUPAC Name(Z)-3-iodo-3-trimethylsilylprop-2-enoic acid
SMILESC[Si](C)(C)/C(I)=C/C(=O)O
InChIInChI=1S/C6H11IO2Si/c1-10(2,3)5(7)4-6(8)9/h4H,1-3H3,(H,8,9)/b5-4+
InChIKeyVXGPIOOSLGFTPR-SNAWJCMRSA-N
XLogP2.27
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.14
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-iodo-3-trimethylsilylprop-2-enoic acid?
The IUPAC name of (Z)-3-iodo-3-trimethylsilylprop-2-enoic acid (CID 11071791) is (Z)-3-iodo-3-trimethylsilylprop-2-enoic acid.
What is the SMILES notation for (Z)-3-iodo-3-trimethylsilylprop-2-enoic acid?
The canonical SMILES for (Z)-3-iodo-3-trimethylsilylprop-2-enoic acid is C[Si](C)(C)/C(I)=C/C(=O)O.
What is the InChIKey of (Z)-3-iodo-3-trimethylsilylprop-2-enoic acid?
The InChIKey is VXGPIOOSLGFTPR-SNAWJCMRSA-N. The full InChI is InChI=1S/C6H11IO2Si/c1-10(2,3)5(7)4-6(8)9/h4H,1-3H3,(H,8,9)/b5-4+.
What are the key properties of (Z)-3-iodo-3-trimethylsilylprop-2-enoic acid?
(Z)-3-iodo-3-trimethylsilylprop-2-enoic acid has a molecular weight of 270.14 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-iodo-3-trimethylsilylprop-2-enoic acid is sourced from PubChem (CID 11071791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).