(Z,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-iodopent-4-enoic acid

C11H21IO3Si — CID 10689605

IUPAC(Z,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-iodopent-4-enoic acid
SMILESCC(C)(C)[Si](C)(C)O[C@H](/C=C\I)CC(=O)O
InChIInChI=1S/C11H21IO3Si/c1-11(2,3)16(4,5)15-9(6-7-12)8-10(13)14/h6-7,9H,8H2,1-5H3,(H,13,14)/b7-6-/t9-/m1/s1
InChIKeyQLIINAXXAZQRHX-ATJFRQLMSA-N
MW356.28 g/mol
LogP3.80
Rot. Bonds5

About (Z,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-iodopent-4-enoic acid

(Z,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-iodopent-4-enoic acid (PubChem CID 10689605) has the molecular formula C11H21IO3Si and a molecular weight of 356.28 g/mol. Its IUPAC name is (Z,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-iodopent-4-enoic acid.

Molecular Properties

Compound Name(Z,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-iodopent-4-enoic acid
PubChem CID10689605
Molecular FormulaC11H21IO3Si
Molecular Weight356.28 g/mol
Exact Mass356.03
IUPAC Name(Z,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-iodopent-4-enoic acid
SMILESCC(C)(C)[Si](C)(C)O[C@H](/C=C\I)CC(=O)O
InChIInChI=1S/C11H21IO3Si/c1-11(2,3)16(4,5)15-9(6-7-12)8-10(13)14/h6-7,9H,8H2,1-5H3,(H,13,14)/b7-6-/t9-/m1/s1
InChIKeyQLIINAXXAZQRHX-ATJFRQLMSA-N
XLogP3.80
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.28
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-iodopent-4-enoic acid?
The IUPAC name of (Z,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-iodopent-4-enoic acid (CID 10689605) is (Z,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-iodopent-4-enoic acid.
What is the SMILES notation for (Z,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-iodopent-4-enoic acid?
The canonical SMILES for (Z,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-iodopent-4-enoic acid is CC(C)(C)[Si](C)(C)O[C@H](/C=C\I)CC(=O)O.
What is the InChIKey of (Z,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-iodopent-4-enoic acid?
The InChIKey is QLIINAXXAZQRHX-ATJFRQLMSA-N. The full InChI is InChI=1S/C11H21IO3Si/c1-11(2,3)16(4,5)15-9(6-7-12)8-10(13)14/h6-7,9H,8H2,1-5H3,(H,13,14)/b7-6-/t9-/m1/s1.
What are the key properties of (Z,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-iodopent-4-enoic acid?
(Z,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-iodopent-4-enoic acid has a molecular weight of 356.28 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-iodopent-4-enoic acid is sourced from PubChem (CID 10689605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).