methyl (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyhept-6-enoate

C14H28O4Si — CID 139257724

IUPACmethyl (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyhept-6-enoate
SMILESC=CC(C[C@@H](O)CC(=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/h8,11-12,15H,1,9-10H2,2-7H3/t11-,12?/m1/s1
InChIKeyZKGLJTZQRACTTG-JHJMLUEUSA-N
MW288.46 g/mol
LogP2.88
Rot. Bonds7

About methyl (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyhept-6-enoate

methyl (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyhept-6-enoate (PubChem CID 139257724) has the molecular formula C14H28O4Si and a molecular weight of 288.46 g/mol. Its IUPAC name is methyl (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyhept-6-enoate.

Molecular Properties

Compound Namemethyl (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyhept-6-enoate
PubChem CID139257724
Molecular FormulaC14H28O4Si
Molecular Weight288.46 g/mol
Exact Mass288.18
IUPAC Namemethyl (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyhept-6-enoate
SMILESC=CC(C[C@@H](O)CC(=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/h8,11-12,15H,1,9-10H2,2-7H3/t11-,12?/m1/s1
InChIKeyZKGLJTZQRACTTG-JHJMLUEUSA-N
XLogP2.88
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyhept-6-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (3R,5S)-3,5-dihydroxyhept-6-enoate
CID 11344279
methyl (3R,5R)-3,5-dihydroxyhept-6-enoate
CID 139257722
(2S,3S,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylhept-6-enoic acid
CID 11682821
(2R,3S,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylhept-6-enoic acid
CID 25146383
methyl (3S,5R,6E,8E)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxytetradeca-6,8-dienoate
CID 25199404
methyl (E,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-7-iodo-5-methoxyhept-6-enoate
CID 53235811
methyl (E,5R)-5-hydroxy-7-trimethylsilylhept-6-enoate
CID 134904305
methyl (3R)-3,5-dihydroxyhept-6-enoate
CID 139257723
methyl (E,2R,3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-7-iodo-2-methylhept-6-enoate
CID 155934416
Ethyl (3R,5S)-3,5-dihydroxyhept-6-enoate
CID 9964298
3,5-Bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-enoic acid
CID 11058201
Ethyl 3,5-dihydroxyhept-6-enoate
CID 13617280

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyhept-6-enoate?
The IUPAC name of methyl (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyhept-6-enoate (CID 139257724) is methyl (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyhept-6-enoate.
What is the SMILES notation for methyl (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyhept-6-enoate?
The canonical SMILES for methyl (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyhept-6-enoate is C=CC(C[C@@H](O)CC(=O)OC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyhept-6-enoate?
The InChIKey is ZKGLJTZQRACTTG-JHJMLUEUSA-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/h8,11-12,15H,1,9-10H2,2-7H3/t11-,12?/m1/s1.
What are the key properties of methyl (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyhept-6-enoate?
methyl (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyhept-6-enoate has a molecular weight of 288.46 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyhept-6-enoate is sourced from PubChem (CID 139257724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).