methyl [(E,2R)-4-trimethylsilylbut-3-en-2-yl] carbonate

C9H18O3Si — CID 11095691

IUPACmethyl [(E,2R)-4-trimethylsilylbut-3-en-2-yl] carbonate
SMILESCOC(=O)O[C@H](C)/C=C/[Si](C)(C)C
InChIInChI=1S/C9H18O3Si/c1-8(12-9(10)11-2)6-7-13(3,4)5/h6-8H,1-5H3/b7-6+/t8-/m1/s1
InChIKeyWKAIQCWAWHOMHJ-HYDMIIDASA-N
MW202.33 g/mol
LogP2.59
Rot. Bonds3

About methyl [(E,2R)-4-trimethylsilylbut-3-en-2-yl] carbonate

methyl [(E,2R)-4-trimethylsilylbut-3-en-2-yl] carbonate (PubChem CID 11095691) has the molecular formula C9H18O3Si and a molecular weight of 202.33 g/mol. Its IUPAC name is methyl [(E,2R)-4-trimethylsilylbut-3-en-2-yl] carbonate.

Molecular Properties

Compound Namemethyl [(E,2R)-4-trimethylsilylbut-3-en-2-yl] carbonate
PubChem CID11095691
Molecular FormulaC9H18O3Si
Molecular Weight202.33 g/mol
Exact Mass202.10
IUPAC Namemethyl [(E,2R)-4-trimethylsilylbut-3-en-2-yl] carbonate
SMILESCOC(=O)O[C@H](C)/C=C/[Si](C)(C)C
InChIInChI=1S/C9H18O3Si/c1-8(12-9(10)11-2)6-7-13(3,4)5/h6-8H,1-5H3/b7-6+/t8-/m1/s1
InChIKeyWKAIQCWAWHOMHJ-HYDMIIDASA-N
XLogP2.59
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.33
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl [(E,2R)-4-trimethylsilylbut-3-en-2-yl] carbonate?
The IUPAC name of methyl [(E,2R)-4-trimethylsilylbut-3-en-2-yl] carbonate (CID 11095691) is methyl [(E,2R)-4-trimethylsilylbut-3-en-2-yl] carbonate.
What is the SMILES notation for methyl [(E,2R)-4-trimethylsilylbut-3-en-2-yl] carbonate?
The canonical SMILES for methyl [(E,2R)-4-trimethylsilylbut-3-en-2-yl] carbonate is COC(=O)O[C@H](C)/C=C/[Si](C)(C)C.
What is the InChIKey of methyl [(E,2R)-4-trimethylsilylbut-3-en-2-yl] carbonate?
The InChIKey is WKAIQCWAWHOMHJ-HYDMIIDASA-N. The full InChI is InChI=1S/C9H18O3Si/c1-8(12-9(10)11-2)6-7-13(3,4)5/h6-8H,1-5H3/b7-6+/t8-/m1/s1.
What are the key properties of methyl [(E,2R)-4-trimethylsilylbut-3-en-2-yl] carbonate?
methyl [(E,2R)-4-trimethylsilylbut-3-en-2-yl] carbonate has a molecular weight of 202.33 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl [(E,2R)-4-trimethylsilylbut-3-en-2-yl] carbonate is sourced from PubChem (CID 11095691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).