methyl (E,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-7-oxohept-5-enoate

C15H28O4Si — CID 134864985

IUPACmethyl (E,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-7-oxohept-5-enoate
SMILESCOC(=O)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)/C=C/C=O
InChIInChI=1S/C15H28O4Si/c1-12(9-8-10-16)13(11-14(17)18-5)19-20(6,7)15(2,3)4/h8-10,12-13H,11H2,1-7H3/b9-8+/t12-,13+/m0/s1
InChIKeyWHDXCKAJUZDIAC-AYSSICMYSA-N
MW300.47 g/mol
LogP3.33
Rot. Bonds7

About methyl (E,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-7-oxohept-5-enoate

methyl (E,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-7-oxohept-5-enoate (PubChem CID 134864985) has the molecular formula C15H28O4Si and a molecular weight of 300.47 g/mol. Its IUPAC name is methyl (E,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-7-oxohept-5-enoate.

Molecular Properties

Compound Namemethyl (E,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-7-oxohept-5-enoate
PubChem CID134864985
Molecular FormulaC15H28O4Si
Molecular Weight300.47 g/mol
Exact Mass300.18
IUPAC Namemethyl (E,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-7-oxohept-5-enoate
SMILESCOC(=O)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)/C=C/C=O
InChIInChI=1S/C15H28O4Si/c1-12(9-8-10-16)13(11-14(17)18-5)19-20(6,7)15(2,3)4/h8-10,12-13H,11H2,1-7H3/b9-8+/t12-,13+/m0/s1
InChIKeyWHDXCKAJUZDIAC-AYSSICMYSA-N
XLogP3.33
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl (E,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-7-oxohept-5-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

(E,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-methyl-7-oxohept-2-enoic acid
CID 88195019
methyl (E)-3-[tert-butyl(dimethyl)silyl]oxy-7-oxohept-5-enoate
CID 10334204
tert-butyl (E)-3-[tert-butyl(dimethyl)silyl]oxy-7-oxohept-5-enoate
CID 10404264
methyl (E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-7-oxohept-5-enoate
CID 10469258
ethyl (E,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methyl-7-oxohept-2-enoate
CID 10946971
2-trimethylsilylethyl (E,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-6-oxohex-4-enoate
CID 11069114
methyl (E,5S)-5-[tert-butyl(dimethyl)silyl]oxy-7-oxohept-2-enoate
CID 11403451
methyl (2Z,4E,6R,7S)-7-[tert-butyl(dimethyl)silyl]oxy-6-methyl-9-oxonona-2,4-dienoate
CID 16732550
methyl (2Z,4E,6S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-6-methyl-9-oxonona-2,4-dienoate
CID 25138551
ethyl (E)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-oxohex-4-enoate
CID 71600178

Frequently Asked Questions

What is the IUPAC name of methyl (E,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-7-oxohept-5-enoate?
The IUPAC name of methyl (E,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-7-oxohept-5-enoate (CID 134864985) is methyl (E,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-7-oxohept-5-enoate.
What is the SMILES notation for methyl (E,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-7-oxohept-5-enoate?
The canonical SMILES for methyl (E,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-7-oxohept-5-enoate is COC(=O)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)/C=C/C=O.
What is the InChIKey of methyl (E,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-7-oxohept-5-enoate?
The InChIKey is WHDXCKAJUZDIAC-AYSSICMYSA-N. The full InChI is InChI=1S/C15H28O4Si/c1-12(9-8-10-16)13(11-14(17)18-5)19-20(6,7)15(2,3)4/h8-10,12-13H,11H2,1-7H3/b9-8+/t12-,13+/m0/s1.
What are the key properties of methyl (E,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-7-oxohept-5-enoate?
methyl (E,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-7-oxohept-5-enoate has a molecular weight of 300.47 g/mol, XLogP of 3.33, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-7-oxohept-5-enoate is sourced from PubChem (CID 134864985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).