methyl (E,3S)-2-methylidene-3-triethylsilyloxyoct-4-enoate

C16H30O3Si — CID 125493207

IUPACmethyl (E,3S)-2-methylidene-3-triethylsilyloxyoct-4-enoate
SMILESC=C(C(=O)OC)[C@H](/C=C/CCC)O[Si](CC)(CC)CC
InChIInChI=1S/C16H30O3Si/c1-7-11-12-13-15(14(5)16(17)18-6)19-20(8-2,9-3)10-4/h12-13,15H,5,7-11H2,1-4,6H3/b13-12+/t15-/m0/s1
InChIKeyZULZXRZFGMEWPN-LHNRBYRGSA-N
MW298.50 g/mol
LogP4.46
Rot. Bonds10

About methyl (E,3S)-2-methylidene-3-triethylsilyloxyoct-4-enoate

methyl (E,3S)-2-methylidene-3-triethylsilyloxyoct-4-enoate (PubChem CID 125493207) has the molecular formula C16H30O3Si and a molecular weight of 298.50 g/mol. Its IUPAC name is methyl (E,3S)-2-methylidene-3-triethylsilyloxyoct-4-enoate.

Molecular Properties

Compound Namemethyl (E,3S)-2-methylidene-3-triethylsilyloxyoct-4-enoate
PubChem CID125493207
Molecular FormulaC16H30O3Si
Molecular Weight298.50 g/mol
Exact Mass298.20
IUPAC Namemethyl (E,3S)-2-methylidene-3-triethylsilyloxyoct-4-enoate
SMILESC=C(C(=O)OC)[C@H](/C=C/CCC)O[Si](CC)(CC)CC
InChIInChI=1S/C16H30O3Si/c1-7-11-12-13-15(14(5)16(17)18-6)19-20(8-2,9-3)10-4/h12-13,15H,5,7-11H2,1-4,6H3/b13-12+/t15-/m0/s1
InChIKeyZULZXRZFGMEWPN-LHNRBYRGSA-N
XLogP4.46
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.50
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl (E,3S)-2-methylidene-3-triethylsilyloxyoct-4-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

dimethyl (E)-3,10-dihydroxy-2,11-dimethylidenedodec-6-enedioate
CID 102012982
(Z)-2-propylhept-3-enoic acid
CID 156873646
dimethyl 2-[(E)-hept-3-en-2-yl]propanedioate
CID 134981164
methyl (9Z,12E,15Z)-11-triethylsilyloxyoctadeca-9,12,15-trienoate
CID 23239386
methyl 2-(2-oxo-1-triethylsilyloxypropyl)hexadec-2-enoate
CID 75108466
methyl (Z)-11-trimethylsilyloxyoctadec-9-enoate
CID 5366650
methyl (E)-13-trimethylsilyloxyoctadec-11-enoate
CID 10000118
methyl (E)-2-formamidohept-3-enoate
CID 19764893
methyl (3E,7E)-undeca-3,7-dienoate
CID 102118339
methyl 3-methyl-2-methylidenebutanoate
CID 534902
(E)-1-methoxyhex-2-en-1-ol
CID 130131054
methyl 2-methylideneoct-3-enoate
CID 174297773

Frequently Asked Questions

What is the IUPAC name of methyl (E,3S)-2-methylidene-3-triethylsilyloxyoct-4-enoate?
The IUPAC name of methyl (E,3S)-2-methylidene-3-triethylsilyloxyoct-4-enoate (CID 125493207) is methyl (E,3S)-2-methylidene-3-triethylsilyloxyoct-4-enoate.
What is the SMILES notation for methyl (E,3S)-2-methylidene-3-triethylsilyloxyoct-4-enoate?
The canonical SMILES for methyl (E,3S)-2-methylidene-3-triethylsilyloxyoct-4-enoate is C=C(C(=O)OC)[C@H](/C=C/CCC)O[Si](CC)(CC)CC.
What is the InChIKey of methyl (E,3S)-2-methylidene-3-triethylsilyloxyoct-4-enoate?
The InChIKey is ZULZXRZFGMEWPN-LHNRBYRGSA-N. The full InChI is InChI=1S/C16H30O3Si/c1-7-11-12-13-15(14(5)16(17)18-6)19-20(8-2,9-3)10-4/h12-13,15H,5,7-11H2,1-4,6H3/b13-12+/t15-/m0/s1.
What are the key properties of methyl (E,3S)-2-methylidene-3-triethylsilyloxyoct-4-enoate?
methyl (E,3S)-2-methylidene-3-triethylsilyloxyoct-4-enoate has a molecular weight of 298.50 g/mol, XLogP of 4.46, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E,3S)-2-methylidene-3-triethylsilyloxyoct-4-enoate is sourced from PubChem (CID 125493207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).