methyl (1Z)-2-trimethylsilyloxycyclododecene-1-carboxylate

C17H32O3Si — CID 10567132

IUPACmethyl (1Z)-2-trimethylsilyloxycyclododecene-1-carboxylate
SMILESCOC(=O)/C1=C(\O[Si](C)(C)C)CCCCCCCCCC1
InChIInChI=1S/C17H32O3Si/c1-19-17(18)15-13-11-9-7-5-6-8-10-12-14-16(15)20-21(2,3)4/h5-14H2,1-4H3/b16-15-
InChIKeyLEIYOVSOSKHZNT-NXVVXOECSA-N
MW312.53 g/mol
LogP5.18
Rot. Bonds3

About methyl (1Z)-2-trimethylsilyloxycyclododecene-1-carboxylate

methyl (1Z)-2-trimethylsilyloxycyclododecene-1-carboxylate (PubChem CID 10567132) has the molecular formula C17H32O3Si and a molecular weight of 312.53 g/mol. Its IUPAC name is methyl (1Z)-2-trimethylsilyloxycyclododecene-1-carboxylate.

Molecular Properties

Compound Namemethyl (1Z)-2-trimethylsilyloxycyclododecene-1-carboxylate
PubChem CID10567132
Molecular FormulaC17H32O3Si
Molecular Weight312.53 g/mol
Exact Mass312.21
IUPAC Namemethyl (1Z)-2-trimethylsilyloxycyclododecene-1-carboxylate
SMILESCOC(=O)/C1=C(\O[Si](C)(C)C)CCCCCCCCCC1
InChIInChI=1S/C17H32O3Si/c1-19-17(18)15-13-11-9-7-5-6-8-10-12-14-16(15)20-21(2,3)4/h5-14H2,1-4H3/b16-15-
InChIKeyLEIYOVSOSKHZNT-NXVVXOECSA-N
XLogP5.18
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.53
LogP ≤ 55.18
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 (1Z)-2-trimethylsilyloxycyclododecene-1-carboxylate?
The IUPAC name of methyl (1Z)-2-trimethylsilyloxycyclododecene-1-carboxylate (CID 10567132) is methyl (1Z)-2-trimethylsilyloxycyclododecene-1-carboxylate.
What is the SMILES notation for methyl (1Z)-2-trimethylsilyloxycyclododecene-1-carboxylate?
The canonical SMILES for methyl (1Z)-2-trimethylsilyloxycyclododecene-1-carboxylate is COC(=O)/C1=C(\O[Si](C)(C)C)CCCCCCCCCC1.
What is the InChIKey of methyl (1Z)-2-trimethylsilyloxycyclododecene-1-carboxylate?
The InChIKey is LEIYOVSOSKHZNT-NXVVXOECSA-N. The full InChI is InChI=1S/C17H32O3Si/c1-19-17(18)15-13-11-9-7-5-6-8-10-12-14-16(15)20-21(2,3)4/h5-14H2,1-4H3/b16-15-.
What are the key properties of methyl (1Z)-2-trimethylsilyloxycyclododecene-1-carboxylate?
methyl (1Z)-2-trimethylsilyloxycyclododecene-1-carboxylate has a molecular weight of 312.53 g/mol, XLogP of 5.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1Z)-2-trimethylsilyloxycyclododecene-1-carboxylate is sourced from PubChem (CID 10567132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).