(Z)-5-[tert-butyl(dimethyl)silyl]oxy-3-chloropent-2-enoic acid

C11H21ClO3Si — CID 10849255

IUPAC(Z)-5-[tert-butyl(dimethyl)silyl]oxy-3-chloropent-2-enoic acid
SMILESCC(C)(C)[Si](C)(C)OCC/C(Cl)=C/C(=O)O
InChIInChI=1S/C11H21ClO3Si/c1-11(2,3)16(4,5)15-7-6-9(12)8-10(13)14/h8H,6-7H2,1-5H3,(H,13,14)/b9-8-
InChIKeyKVAINHFTBSPBLV-HJWRWDBZSA-N
MW264.82 g/mol
LogP3.61
Rot. Bonds5

About (Z)-5-[tert-butyl(dimethyl)silyl]oxy-3-chloropent-2-enoic acid

(Z)-5-[tert-butyl(dimethyl)silyl]oxy-3-chloropent-2-enoic acid (PubChem CID 10849255) has the molecular formula C11H21ClO3Si and a molecular weight of 264.82 g/mol. Its IUPAC name is (Z)-5-[tert-butyl(dimethyl)silyl]oxy-3-chloropent-2-enoic acid.

Molecular Properties

Compound Name(Z)-5-[tert-butyl(dimethyl)silyl]oxy-3-chloropent-2-enoic acid
PubChem CID10849255
Molecular FormulaC11H21ClO3Si
Molecular Weight264.82 g/mol
Exact Mass264.09
IUPAC Name(Z)-5-[tert-butyl(dimethyl)silyl]oxy-3-chloropent-2-enoic acid
SMILESCC(C)(C)[Si](C)(C)OCC/C(Cl)=C/C(=O)O
InChIInChI=1S/C11H21ClO3Si/c1-11(2,3)16(4,5)15-7-6-9(12)8-10(13)14/h8H,6-7H2,1-5H3,(H,13,14)/b9-8-
InChIKeyKVAINHFTBSPBLV-HJWRWDBZSA-N
XLogP3.61
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.82
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[tert-butyl(dimethyl)silyl] (Z)-5-[tert-butyl(dimethyl)silyl]oxy-3-chloropent-2-enoate
CID 10714716
tert-butyl 3-[tert-butyl(dimethyl)silyl]oxypropanoate
CID 175251945
5-[tert-butyl(dimethyl)silyl]oxypentane-2,3-dione
CID 59850474
(E)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enoic acid
CID 87677044
3-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]propanoic acid
CID 164815617
4-[tert-butyl(dimethyl)silyl]oxy-2-diazobutanoic acid
CID 139681349
5-[tert-butyl(dimethyl)silyl]oxy-1-chloropentan-2-one
CID 57382632
(E)-11-[tert-butyl(dimethyl)silyl]oxyundec-2-enoic acid
CID 87313123
(Z)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enoic acid
CID 87108753
4-[tert-butyl(dimethyl)silyl]oxybut-2-enoic acid
CID 85272131
methyl (2E)-2-benzylidene-4-[tert-butyl(dimethyl)silyl]oxybutanoate
CID 101432797
[(3E)-3-bromo-4-chlorohepta-3,6-dienoxy]-tert-butyl-dimethylsilane
CID 53330262

Frequently Asked Questions

What is the IUPAC name of (Z)-5-[tert-butyl(dimethyl)silyl]oxy-3-chloropent-2-enoic acid?
The IUPAC name of (Z)-5-[tert-butyl(dimethyl)silyl]oxy-3-chloropent-2-enoic acid (CID 10849255) is (Z)-5-[tert-butyl(dimethyl)silyl]oxy-3-chloropent-2-enoic acid.
What is the SMILES notation for (Z)-5-[tert-butyl(dimethyl)silyl]oxy-3-chloropent-2-enoic acid?
The canonical SMILES for (Z)-5-[tert-butyl(dimethyl)silyl]oxy-3-chloropent-2-enoic acid is CC(C)(C)[Si](C)(C)OCC/C(Cl)=C/C(=O)O.
What is the InChIKey of (Z)-5-[tert-butyl(dimethyl)silyl]oxy-3-chloropent-2-enoic acid?
The InChIKey is KVAINHFTBSPBLV-HJWRWDBZSA-N. The full InChI is InChI=1S/C11H21ClO3Si/c1-11(2,3)16(4,5)15-7-6-9(12)8-10(13)14/h8H,6-7H2,1-5H3,(H,13,14)/b9-8-.
What are the key properties of (Z)-5-[tert-butyl(dimethyl)silyl]oxy-3-chloropent-2-enoic acid?
(Z)-5-[tert-butyl(dimethyl)silyl]oxy-3-chloropent-2-enoic acid has a molecular weight of 264.82 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-[tert-butyl(dimethyl)silyl]oxy-3-chloropent-2-enoic acid is sourced from PubChem (CID 10849255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).