methyl (Z,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-iodopent-4-enoate

C12H23IO3Si — CID 10861578

IUPACmethyl (Z,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-iodopent-4-enoate
SMILESCOC(=O)C[C@H](/C=C\I)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H23IO3Si/c1-12(2,3)17(5,6)16-10(7-8-13)9-11(14)15-4/h7-8,10H,9H2,1-6H3/b8-7-/t10-/m0/s1
InChIKeyXVFYFRSGQAJBFW-DMEOUFDRSA-N
MW370.30 g/mol
LogP3.89
Rot. Bonds5

About methyl (Z,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-iodopent-4-enoate

methyl (Z,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-iodopent-4-enoate (PubChem CID 10861578) has the molecular formula C12H23IO3Si and a molecular weight of 370.30 g/mol. Its IUPAC name is methyl (Z,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-iodopent-4-enoate.

Molecular Properties

Compound Namemethyl (Z,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-iodopent-4-enoate
PubChem CID10861578
Molecular FormulaC12H23IO3Si
Molecular Weight370.30 g/mol
Exact Mass370.05
IUPAC Namemethyl (Z,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-iodopent-4-enoate
SMILESCOC(=O)C[C@H](/C=C\I)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H23IO3Si/c1-12(2,3)17(5,6)16-10(7-8-13)9-11(14)15-4/h7-8,10H,9H2,1-6H3/b8-7-/t10-/m0/s1
InChIKeyXVFYFRSGQAJBFW-DMEOUFDRSA-N
XLogP3.89
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.30
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(R)-Methyl 3-((tert-butyldimethylsilyl)oxy)hex-5-enoate
CID 14926558
tert-butyl (3R)-3-trimethylsilyloxypent-4-enoate
CID 138971087
(S)-3-((tert-Butyldimethylsilyl)oxy)pent-4-enoic acid
CID 24938600
ethyl (E)-3-[tert-butyl(dimethyl)silyl]oxyhex-4-enoate
CID 10401049
tert-butyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
CID 11150361
Methyl 2,2-dimethyl-3-triethylsilyloxypent-4-enoate
CID 11558120
Tert-butyl 3-[(tert-butyldimethylsilyl)oxy]pent-4-enoate
CID 14926561
ethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
CID 15382070
3-[Tert-butyl(dimethyl)silyl]oxypent-4-enoic acid
CID 44614149
tert-butyl (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
CID 56954181
methyl (4Z,7S,8E)-7-[tert-butyl(dimethyl)silyl]oxy-9-iodonona-4,8-dienoate
CID 59372870
(3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoic acid
CID 66561844

Frequently Asked Questions

What is the IUPAC name of methyl (Z,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-iodopent-4-enoate?
The IUPAC name of methyl (Z,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-iodopent-4-enoate (CID 10861578) is methyl (Z,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-iodopent-4-enoate.
What is the SMILES notation for methyl (Z,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-iodopent-4-enoate?
The canonical SMILES for methyl (Z,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-iodopent-4-enoate is COC(=O)C[C@H](/C=C\I)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (Z,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-iodopent-4-enoate?
The InChIKey is XVFYFRSGQAJBFW-DMEOUFDRSA-N. The full InChI is InChI=1S/C12H23IO3Si/c1-12(2,3)17(5,6)16-10(7-8-13)9-11(14)15-4/h7-8,10H,9H2,1-6H3/b8-7-/t10-/m0/s1.
What are the key properties of methyl (Z,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-iodopent-4-enoate?
methyl (Z,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-iodopent-4-enoate has a molecular weight of 370.30 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-iodopent-4-enoate is sourced from PubChem (CID 10861578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).