methyl (Z,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyhept-2-enoate

C14H28O4Si — CID 54716854

IUPACmethyl (Z,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyhept-2-enoate
SMILESCC[C@H](C/C(O)=C/C(=O)OC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O4Si/c1-8-12(9-11(15)10-13(16)17-5)18-19(6,7)14(2,3)4/h10,12,15H,8-9H2,1-7H3/b11-10-/t12-/m1/s1
InChIKeyGKNWFZSAOUIGHF-NLYDNYMLSA-N
MW288.46 g/mol
LogP3.79
Rot. Bonds6

About methyl (Z,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyhept-2-enoate

methyl (Z,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyhept-2-enoate (PubChem CID 54716854) has the molecular formula C14H28O4Si and a molecular weight of 288.46 g/mol. Its IUPAC name is methyl (Z,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyhept-2-enoate.

Molecular Properties

Compound Namemethyl (Z,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyhept-2-enoate
PubChem CID54716854
Molecular FormulaC14H28O4Si
Molecular Weight288.46 g/mol
Exact Mass288.18
IUPAC Namemethyl (Z,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyhept-2-enoate
SMILESCC[C@H](C/C(O)=C/C(=O)OC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O4Si/c1-8-12(9-11(15)10-13(16)17-5)18-19(6,7)14(2,3)4/h10,12,15H,8-9H2,1-7H3/b11-10-/t12-/m1/s1
InChIKeyGKNWFZSAOUIGHF-NLYDNYMLSA-N
XLogP3.79
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Related Compounds

(2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dihydropyran-6-one
CID 11107972
ethyl (E,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-6-methylhept-2-enoate
CID 11141640
methyl (E,4R,5S,6S)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-4,6-dimethylhept-2-enoate
CID 11290062
ethyl (E,4R,5R)-7-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxyhept-2-enoate
CID 11290125
ethyl (E,5S)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxyhept-2-enoate
CID 11358559
ethyl (E,5S,7R)-5-[tert-butyl(dimethyl)silyl]oxy-7-hydroxyoct-2-enoate
CID 24756275
(E,5R)-5-[(E,5S,7R)-5-[tert-butyl(dimethyl)silyl]oxy-7-hydroxyoct-2-enoyl]oxyhex-2-enoic acid
CID 24756330
ethyl (E,6S)-7-[tert-butyl(dimethyl)silyl]oxy-6-hydroxyhept-2-enoate
CID 24873841
methyl (E,5R)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-6,6-dimethylhept-2-enoate
CID 25170254
methyl (E,4R,5S)-6-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-4-methoxyhex-2-enoate
CID 71567019
[(E,2R)-6-ethoxy-6-oxohex-4-en-2-yl] (E,5S,7R)-5-[tert-butyl(dimethyl)silyl]oxy-7-hydroxyoct-2-enoate
CID 134830610
methyl (E,4R,5R,6R)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-4,6-dimethylhept-2-enoate
CID 134878333

Frequently Asked Questions

What is the IUPAC name of methyl (Z,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyhept-2-enoate?
The IUPAC name of methyl (Z,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyhept-2-enoate (CID 54716854) is methyl (Z,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyhept-2-enoate.
What is the SMILES notation for methyl (Z,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyhept-2-enoate?
The canonical SMILES for methyl (Z,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyhept-2-enoate is CC[C@H](C/C(O)=C/C(=O)OC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (Z,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyhept-2-enoate?
The InChIKey is GKNWFZSAOUIGHF-NLYDNYMLSA-N. The full InChI is InChI=1S/C14H28O4Si/c1-8-12(9-11(15)10-13(16)17-5)18-19(6,7)14(2,3)4/h10,12,15H,8-9H2,1-7H3/b11-10-/t12-/m1/s1.
What are the key properties of methyl (Z,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyhept-2-enoate?
methyl (Z,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyhept-2-enoate has a molecular weight of 288.46 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyhept-2-enoate is sourced from PubChem (CID 54716854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).