methyl 2-deuterio-4-methylidene-2-trimethylsilylhex-5-enoate

C11H20O2Si — CID 13357666

IUPACmethyl 2-deuterio-4-methylidene-2-trimethylsilylhex-5-enoate
SMILES[2H]C(CC(=C)C=C)(C(=O)OC)[Si](C)(C)C
InChIInChI=1S/C11H20O2Si/c1-7-9(2)8-10(11(12)13-3)14(4,5)6/h7,10H,1-2,8H2,3-6H3/i10D
InChIKeyOHPAUJVVNMBRMW-MMIHMFRQSA-N
MW213.37 g/mol
LogP3.00
Rot. Bonds5

About methyl 2-deuterio-4-methylidene-2-trimethylsilylhex-5-enoate

methyl 2-deuterio-4-methylidene-2-trimethylsilylhex-5-enoate (PubChem CID 13357666) has the molecular formula C11H20O2Si and a molecular weight of 213.37 g/mol. Its IUPAC name is methyl 2-deuterio-4-methylidene-2-trimethylsilylhex-5-enoate.

Molecular Properties

Compound Namemethyl 2-deuterio-4-methylidene-2-trimethylsilylhex-5-enoate
PubChem CID13357666
Molecular FormulaC11H20O2Si
Molecular Weight213.37 g/mol
Exact Mass213.13
IUPAC Namemethyl 2-deuterio-4-methylidene-2-trimethylsilylhex-5-enoate
SMILES[2H]C(CC(=C)C=C)(C(=O)OC)[Si](C)(C)C
InChIInChI=1S/C11H20O2Si/c1-7-9(2)8-10(11(12)13-3)14(4,5)6/h7,10H,1-2,8H2,3-6H3/i10D
InChIKeyOHPAUJVVNMBRMW-MMIHMFRQSA-N
XLogP3.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-deuterio-4-methylidene-2-trimethylsilylhex-5-enoate?
The IUPAC name of methyl 2-deuterio-4-methylidene-2-trimethylsilylhex-5-enoate (CID 13357666) is methyl 2-deuterio-4-methylidene-2-trimethylsilylhex-5-enoate.
What is the SMILES notation for methyl 2-deuterio-4-methylidene-2-trimethylsilylhex-5-enoate?
The canonical SMILES for methyl 2-deuterio-4-methylidene-2-trimethylsilylhex-5-enoate is [2H]C(CC(=C)C=C)(C(=O)OC)[Si](C)(C)C.
What is the InChIKey of methyl 2-deuterio-4-methylidene-2-trimethylsilylhex-5-enoate?
The InChIKey is OHPAUJVVNMBRMW-MMIHMFRQSA-N. The full InChI is InChI=1S/C11H20O2Si/c1-7-9(2)8-10(11(12)13-3)14(4,5)6/h7,10H,1-2,8H2,3-6H3/i10D.
What are the key properties of methyl 2-deuterio-4-methylidene-2-trimethylsilylhex-5-enoate?
methyl 2-deuterio-4-methylidene-2-trimethylsilylhex-5-enoate has a molecular weight of 213.37 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-deuterio-4-methylidene-2-trimethylsilylhex-5-enoate is sourced from PubChem (CID 13357666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).