methyl (E,7R)-9-[tert-butyl(dimethyl)silyl]oxy-7-hydroxynon-2-enoate

C16H32O4Si — CID 24949356

IUPACmethyl (E,7R)-9-[tert-butyl(dimethyl)silyl]oxy-7-hydroxynon-2-enoate
SMILESCOC(=O)/C=C/CCC[C@@H](O)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O4Si/c1-16(2,3)21(5,6)20-13-12-14(17)10-8-7-9-11-15(18)19-4/h9,11,14,17H,7-8,10,12-13H2,1-6H3/b11-9+/t14-/m1/s1
InChIKeyPJTUWKSHDTYHPJ-CFRMROPGSA-N
MW316.51 g/mol
LogP3.66
Rot. Bonds9

About methyl (E,7R)-9-[tert-butyl(dimethyl)silyl]oxy-7-hydroxynon-2-enoate

methyl (E,7R)-9-[tert-butyl(dimethyl)silyl]oxy-7-hydroxynon-2-enoate (PubChem CID 24949356) has the molecular formula C16H32O4Si and a molecular weight of 316.51 g/mol. Its IUPAC name is methyl (E,7R)-9-[tert-butyl(dimethyl)silyl]oxy-7-hydroxynon-2-enoate.

Molecular Properties

Compound Namemethyl (E,7R)-9-[tert-butyl(dimethyl)silyl]oxy-7-hydroxynon-2-enoate
PubChem CID24949356
Molecular FormulaC16H32O4Si
Molecular Weight316.51 g/mol
Exact Mass316.21
IUPAC Namemethyl (E,7R)-9-[tert-butyl(dimethyl)silyl]oxy-7-hydroxynon-2-enoate
SMILESCOC(=O)/C=C/CCC[C@@H](O)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O4Si/c1-16(2,3)21(5,6)20-13-12-14(17)10-8-7-9-11-15(18)19-4/h9,11,14,17H,7-8,10,12-13H2,1-6H3/b11-9+/t14-/m1/s1
InChIKeyPJTUWKSHDTYHPJ-CFRMROPGSA-N
XLogP3.66
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.51
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze methyl (E,7R)-9-[tert-butyl(dimethyl)silyl]oxy-7-hydroxynon-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl (E,7R)-9-[tert-butyl(dimethyl)silyl]oxy-7-hydroxynon-2-enoate?
The IUPAC name of methyl (E,7R)-9-[tert-butyl(dimethyl)silyl]oxy-7-hydroxynon-2-enoate (CID 24949356) is methyl (E,7R)-9-[tert-butyl(dimethyl)silyl]oxy-7-hydroxynon-2-enoate.
What is the SMILES notation for methyl (E,7R)-9-[tert-butyl(dimethyl)silyl]oxy-7-hydroxynon-2-enoate?
The canonical SMILES for methyl (E,7R)-9-[tert-butyl(dimethyl)silyl]oxy-7-hydroxynon-2-enoate is COC(=O)/C=C/CCC[C@@H](O)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (E,7R)-9-[tert-butyl(dimethyl)silyl]oxy-7-hydroxynon-2-enoate?
The InChIKey is PJTUWKSHDTYHPJ-CFRMROPGSA-N. The full InChI is InChI=1S/C16H32O4Si/c1-16(2,3)21(5,6)20-13-12-14(17)10-8-7-9-11-15(18)19-4/h9,11,14,17H,7-8,10,12-13H2,1-6H3/b11-9+/t14-/m1/s1.
What are the key properties of methyl (E,7R)-9-[tert-butyl(dimethyl)silyl]oxy-7-hydroxynon-2-enoate?
methyl (E,7R)-9-[tert-butyl(dimethyl)silyl]oxy-7-hydroxynon-2-enoate has a molecular weight of 316.51 g/mol, XLogP of 3.66, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E,7R)-9-[tert-butyl(dimethyl)silyl]oxy-7-hydroxynon-2-enoate is sourced from PubChem (CID 24949356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).