methyl [(Z)-4-methyl-6-trimethylsilylhex-3-en-5-yn-2-yl] carbonate

C12H20O3Si — CID 53466998

IUPACmethyl [(Z)-4-methyl-6-trimethylsilylhex-3-en-5-yn-2-yl] carbonate
SMILESCOC(=O)OC(C)/C=C(/C)C#C[Si](C)(C)C
InChIInChI=1S/C12H20O3Si/c1-10(7-8-16(4,5)6)9-11(2)15-12(13)14-3/h9,11H,1-6H3/b10-9-
InChIKeyNJMALODKWROXIK-KTKRTIGZSA-N
MW240.37 g/mol
LogP2.98
Rot. Bonds2

About methyl [(Z)-4-methyl-6-trimethylsilylhex-3-en-5-yn-2-yl] carbonate

methyl [(Z)-4-methyl-6-trimethylsilylhex-3-en-5-yn-2-yl] carbonate (PubChem CID 53466998) has the molecular formula C12H20O3Si and a molecular weight of 240.37 g/mol. Its IUPAC name is methyl [(Z)-4-methyl-6-trimethylsilylhex-3-en-5-yn-2-yl] carbonate.

Molecular Properties

Compound Namemethyl [(Z)-4-methyl-6-trimethylsilylhex-3-en-5-yn-2-yl] carbonate
PubChem CID53466998
Molecular FormulaC12H20O3Si
Molecular Weight240.37 g/mol
Exact Mass240.12
IUPAC Namemethyl [(Z)-4-methyl-6-trimethylsilylhex-3-en-5-yn-2-yl] carbonate
SMILESCOC(=O)OC(C)/C=C(/C)C#C[Si](C)(C)C
InChIInChI=1S/C12H20O3Si/c1-10(7-8-16(4,5)6)9-11(2)15-12(13)14-3/h9,11H,1-6H3/b10-9-
InChIKeyNJMALODKWROXIK-KTKRTIGZSA-N
XLogP2.98
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl [(Z)-4-methyl-6-trimethylsilylhex-3-en-5-yn-2-yl] carbonate?
The IUPAC name of methyl [(Z)-4-methyl-6-trimethylsilylhex-3-en-5-yn-2-yl] carbonate (CID 53466998) is methyl [(Z)-4-methyl-6-trimethylsilylhex-3-en-5-yn-2-yl] carbonate.
What is the SMILES notation for methyl [(Z)-4-methyl-6-trimethylsilylhex-3-en-5-yn-2-yl] carbonate?
The canonical SMILES for methyl [(Z)-4-methyl-6-trimethylsilylhex-3-en-5-yn-2-yl] carbonate is COC(=O)OC(C)/C=C(/C)C#C[Si](C)(C)C.
What is the InChIKey of methyl [(Z)-4-methyl-6-trimethylsilylhex-3-en-5-yn-2-yl] carbonate?
The InChIKey is NJMALODKWROXIK-KTKRTIGZSA-N. The full InChI is InChI=1S/C12H20O3Si/c1-10(7-8-16(4,5)6)9-11(2)15-12(13)14-3/h9,11H,1-6H3/b10-9-.
What are the key properties of methyl [(Z)-4-methyl-6-trimethylsilylhex-3-en-5-yn-2-yl] carbonate?
methyl [(Z)-4-methyl-6-trimethylsilylhex-3-en-5-yn-2-yl] carbonate has a molecular weight of 240.37 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl [(Z)-4-methyl-6-trimethylsilylhex-3-en-5-yn-2-yl] carbonate is sourced from PubChem (CID 53466998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).