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'}

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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).