methyl (Z)-10-[tert-butyl(dimethyl)silyl]oxy-3-oxo-6-propan-2-yldec-7-enoate

C20H38O4Si — CID 134833524

IUPACmethyl (Z)-10-[tert-butyl(dimethyl)silyl]oxy-3-oxo-6-propan-2-yldec-7-enoate
SMILESCOC(=O)CC(=O)CCC(/C=C\CCO[Si](C)(C)C(C)(C)C)C(C)C
InChIInChI=1S/C20H38O4Si/c1-16(2)17(12-13-18(21)15-19(22)23-6)11-9-10-14-24-25(7,8)20(3,4)5/h9,11,16-17H,10,12-15H2,1-8H3/b11-9-
InChIKeyLAMHGWSQXBEPRQ-LUAWRHEFSA-N
MW370.61 g/mol
LogP5.14
Rot. Bonds11

About methyl (Z)-10-[tert-butyl(dimethyl)silyl]oxy-3-oxo-6-propan-2-yldec-7-enoate

methyl (Z)-10-[tert-butyl(dimethyl)silyl]oxy-3-oxo-6-propan-2-yldec-7-enoate (PubChem CID 134833524) has the molecular formula C20H38O4Si and a molecular weight of 370.61 g/mol. Its IUPAC name is methyl (Z)-10-[tert-butyl(dimethyl)silyl]oxy-3-oxo-6-propan-2-yldec-7-enoate.

Molecular Properties

Compound Namemethyl (Z)-10-[tert-butyl(dimethyl)silyl]oxy-3-oxo-6-propan-2-yldec-7-enoate
PubChem CID134833524
Molecular FormulaC20H38O4Si
Molecular Weight370.61 g/mol
Exact Mass370.25
IUPAC Namemethyl (Z)-10-[tert-butyl(dimethyl)silyl]oxy-3-oxo-6-propan-2-yldec-7-enoate
SMILESCOC(=O)CC(=O)CCC(/C=C\CCO[Si](C)(C)C(C)(C)C)C(C)C
InChIInChI=1S/C20H38O4Si/c1-16(2)17(12-13-18(21)15-19(22)23-6)11-9-10-14-24-25(7,8)20(3,4)5/h9,11,16-17H,10,12-15H2,1-8H3/b11-9-
InChIKeyLAMHGWSQXBEPRQ-LUAWRHEFSA-N
XLogP5.14
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.61
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (Z)-10-[tert-butyl(dimethyl)silyl]oxy-3-oxo-6-propan-2-yldec-7-enoate?
The IUPAC name of methyl (Z)-10-[tert-butyl(dimethyl)silyl]oxy-3-oxo-6-propan-2-yldec-7-enoate (CID 134833524) is methyl (Z)-10-[tert-butyl(dimethyl)silyl]oxy-3-oxo-6-propan-2-yldec-7-enoate.
What is the SMILES notation for methyl (Z)-10-[tert-butyl(dimethyl)silyl]oxy-3-oxo-6-propan-2-yldec-7-enoate?
The canonical SMILES for methyl (Z)-10-[tert-butyl(dimethyl)silyl]oxy-3-oxo-6-propan-2-yldec-7-enoate is COC(=O)CC(=O)CCC(/C=C\CCO[Si](C)(C)C(C)(C)C)C(C)C.
What is the InChIKey of methyl (Z)-10-[tert-butyl(dimethyl)silyl]oxy-3-oxo-6-propan-2-yldec-7-enoate?
The InChIKey is LAMHGWSQXBEPRQ-LUAWRHEFSA-N. The full InChI is InChI=1S/C20H38O4Si/c1-16(2)17(12-13-18(21)15-19(22)23-6)11-9-10-14-24-25(7,8)20(3,4)5/h9,11,16-17H,10,12-15H2,1-8H3/b11-9-.
What are the key properties of methyl (Z)-10-[tert-butyl(dimethyl)silyl]oxy-3-oxo-6-propan-2-yldec-7-enoate?
methyl (Z)-10-[tert-butyl(dimethyl)silyl]oxy-3-oxo-6-propan-2-yldec-7-enoate has a molecular weight of 370.61 g/mol, XLogP of 5.14, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-10-[tert-butyl(dimethyl)silyl]oxy-3-oxo-6-propan-2-yldec-7-enoate is sourced from PubChem (CID 134833524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).