2,2-dimethyl-4-[(Z)-7-trimethylsilylhept-1-en-6-ynyl]-1,3-oxazolidine-3-carboxylic acid

C16H27NO3Si — CID 67007353

IUPAC2,2-dimethyl-4-[(Z)-7-trimethylsilylhept-1-en-6-ynyl]-1,3-oxazolidine-3-carboxylic acid
SMILESCC1(C)OCC(/C=C\CCCC#C[Si](C)(C)C)N1C(=O)O
InChIInChI=1S/C16H27NO3Si/c1-16(2)17(15(18)19)14(13-20-16)11-9-7-6-8-10-12-21(3,4)5/h9,11,14H,6-8,13H2,1-5H3,(H,18,19)/b11-9-
InChIKeyVWEZXLCJBDZQAK-LUAWRHEFSA-N
MW309.48 g/mol
LogP3.71
Rot. Bonds4

About 2,2-dimethyl-4-[(Z)-7-trimethylsilylhept-1-en-6-ynyl]-1,3-oxazolidine-3-carboxylic acid

2,2-dimethyl-4-[(Z)-7-trimethylsilylhept-1-en-6-ynyl]-1,3-oxazolidine-3-carboxylic acid (PubChem CID 67007353) has the molecular formula C16H27NO3Si and a molecular weight of 309.48 g/mol. Its IUPAC name is 2,2-dimethyl-4-[(Z)-7-trimethylsilylhept-1-en-6-ynyl]-1,3-oxazolidine-3-carboxylic acid.

Molecular Properties

Compound Name2,2-dimethyl-4-[(Z)-7-trimethylsilylhept-1-en-6-ynyl]-1,3-oxazolidine-3-carboxylic acid
PubChem CID67007353
Molecular FormulaC16H27NO3Si
Molecular Weight309.48 g/mol
Exact Mass309.18
IUPAC Name2,2-dimethyl-4-[(Z)-7-trimethylsilylhept-1-en-6-ynyl]-1,3-oxazolidine-3-carboxylic acid
SMILESCC1(C)OCC(/C=C\CCCC#C[Si](C)(C)C)N1C(=O)O
InChIInChI=1S/C16H27NO3Si/c1-16(2)17(15(18)19)14(13-20-16)11-9-7-6-8-10-12-21(3,4)5/h9,11,14H,6-8,13H2,1-5H3,(H,18,19)/b11-9-
InChIKeyVWEZXLCJBDZQAK-LUAWRHEFSA-N
XLogP3.71
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-[(Z)-7-trimethylsilylhept-1-en-6-ynyl]-1,3-oxazolidine-3-carboxylic acid?
The IUPAC name of 2,2-dimethyl-4-[(Z)-7-trimethylsilylhept-1-en-6-ynyl]-1,3-oxazolidine-3-carboxylic acid (CID 67007353) is 2,2-dimethyl-4-[(Z)-7-trimethylsilylhept-1-en-6-ynyl]-1,3-oxazolidine-3-carboxylic acid.
What is the SMILES notation for 2,2-dimethyl-4-[(Z)-7-trimethylsilylhept-1-en-6-ynyl]-1,3-oxazolidine-3-carboxylic acid?
The canonical SMILES for 2,2-dimethyl-4-[(Z)-7-trimethylsilylhept-1-en-6-ynyl]-1,3-oxazolidine-3-carboxylic acid is CC1(C)OCC(/C=C\CCCC#C[Si](C)(C)C)N1C(=O)O.
What is the InChIKey of 2,2-dimethyl-4-[(Z)-7-trimethylsilylhept-1-en-6-ynyl]-1,3-oxazolidine-3-carboxylic acid?
The InChIKey is VWEZXLCJBDZQAK-LUAWRHEFSA-N. The full InChI is InChI=1S/C16H27NO3Si/c1-16(2)17(15(18)19)14(13-20-16)11-9-7-6-8-10-12-21(3,4)5/h9,11,14H,6-8,13H2,1-5H3,(H,18,19)/b11-9-.
What are the key properties of 2,2-dimethyl-4-[(Z)-7-trimethylsilylhept-1-en-6-ynyl]-1,3-oxazolidine-3-carboxylic acid?
2,2-dimethyl-4-[(Z)-7-trimethylsilylhept-1-en-6-ynyl]-1,3-oxazolidine-3-carboxylic acid has a molecular weight of 309.48 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-[(Z)-7-trimethylsilylhept-1-en-6-ynyl]-1,3-oxazolidine-3-carboxylic acid is sourced from PubChem (CID 67007353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).