(Z)-9-[tert-butyl(dimethyl)silyl]oxy-5-propan-2-ylnon-6-en-2-one

C18H36O2Si — CID 134833523

IUPAC(Z)-9-[tert-butyl(dimethyl)silyl]oxy-5-propan-2-ylnon-6-en-2-one
SMILESCC(=O)CCC(/C=C\CCO[Si](C)(C)C(C)(C)C)C(C)C
InChIInChI=1S/C18H36O2Si/c1-15(2)17(13-12-16(3)19)11-9-10-14-20-21(7,8)18(4,5)6/h9,11,15,17H,10,12-14H2,1-8H3/b11-9-
InChIKeyPMJOXDOJJHPJHA-LUAWRHEFSA-N
MW312.57 g/mol
LogP5.60
Rot. Bonds9

About (Z)-9-[tert-butyl(dimethyl)silyl]oxy-5-propan-2-ylnon-6-en-2-one

(Z)-9-[tert-butyl(dimethyl)silyl]oxy-5-propan-2-ylnon-6-en-2-one (PubChem CID 134833523) has the molecular formula C18H36O2Si and a molecular weight of 312.57 g/mol. Its IUPAC name is (Z)-9-[tert-butyl(dimethyl)silyl]oxy-5-propan-2-ylnon-6-en-2-one.

Molecular Properties

Compound Name(Z)-9-[tert-butyl(dimethyl)silyl]oxy-5-propan-2-ylnon-6-en-2-one
PubChem CID134833523
Molecular FormulaC18H36O2Si
Molecular Weight312.57 g/mol
Exact Mass312.25
IUPAC Name(Z)-9-[tert-butyl(dimethyl)silyl]oxy-5-propan-2-ylnon-6-en-2-one
SMILESCC(=O)CCC(/C=C\CCO[Si](C)(C)C(C)(C)C)C(C)C
InChIInChI=1S/C18H36O2Si/c1-15(2)17(13-12-16(3)19)11-9-10-14-20-21(7,8)18(4,5)6/h9,11,15,17H,10,12-14H2,1-8H3/b11-9-
InChIKeyPMJOXDOJJHPJHA-LUAWRHEFSA-N
XLogP5.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.57
LogP ≤ 55.60
H-Bond Donors ≤ 50
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'}

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Related Compounds

(2S,3E,6S)-2,6-dimethyl-1-tri(propan-2-yl)silyloxydeca-3,9-dien-5-one
CID 12164694
3-[(E,4S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpent-1-enyl]cyclohexan-1-one
CID 101625783
(E,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyltridec-7-en-2-one
CID 164683021
(2Z,6Z)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-8-propan-2-ylcyclodeca-2,6-dien-1-one
CID 20164362
(2Z,6Z)-8-propan-2-yl-5-(trimethylsilyloxymethyl)cyclodeca-2,6-dien-1-one
CID 20164372
(2R)-2-[7-[tert-butyl(dimethyl)silyl]oxyhepta-3,4-dienyl]-3-(4-methylnonyl)cyclopent-3-en-1-one
CID 57047876
8-Propan-2-yl-5-(trimethylsilyloxymethyl)cyclodeca-2,6-dien-1-one
CID 57305973
(3S,6Z,9R,11E)-9-[tert-butyl(dimethyl)silyl]oxy-12-chloro-2,3-dimethyltrideca-6,11-dien-4-one
CID 58139586
5-[[Tert-butyl(dimethyl)silyl]oxymethyl]-8-propan-2-ylcyclodeca-2,6-dien-1-one
CID 70433943
4-Cyclohexyl-4-trimethylsilylnon-5-en-3-one
CID 70581188
(4S,6R,7Z,9S)-4-[tert-butyl(dimethyl)silyl]oxy-6,9,10-trimethylundeca-1,7-dien-5-one
CID 89902098
(2Z,6Z)-5-(2,3-dimethylbutan-2-ylsilyloxymethyl)-8-propan-2-ylcyclodeca-2,6-dien-1-one
CID 173406970

Frequently Asked Questions

What is the IUPAC name of (Z)-9-[tert-butyl(dimethyl)silyl]oxy-5-propan-2-ylnon-6-en-2-one?
The IUPAC name of (Z)-9-[tert-butyl(dimethyl)silyl]oxy-5-propan-2-ylnon-6-en-2-one (CID 134833523) is (Z)-9-[tert-butyl(dimethyl)silyl]oxy-5-propan-2-ylnon-6-en-2-one.
What is the SMILES notation for (Z)-9-[tert-butyl(dimethyl)silyl]oxy-5-propan-2-ylnon-6-en-2-one?
The canonical SMILES for (Z)-9-[tert-butyl(dimethyl)silyl]oxy-5-propan-2-ylnon-6-en-2-one is CC(=O)CCC(/C=C\CCO[Si](C)(C)C(C)(C)C)C(C)C.
What is the InChIKey of (Z)-9-[tert-butyl(dimethyl)silyl]oxy-5-propan-2-ylnon-6-en-2-one?
The InChIKey is PMJOXDOJJHPJHA-LUAWRHEFSA-N. The full InChI is InChI=1S/C18H36O2Si/c1-15(2)17(13-12-16(3)19)11-9-10-14-20-21(7,8)18(4,5)6/h9,11,15,17H,10,12-14H2,1-8H3/b11-9-.
What are the key properties of (Z)-9-[tert-butyl(dimethyl)silyl]oxy-5-propan-2-ylnon-6-en-2-one?
(Z)-9-[tert-butyl(dimethyl)silyl]oxy-5-propan-2-ylnon-6-en-2-one has a molecular weight of 312.57 g/mol, XLogP of 5.60, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-9-[tert-butyl(dimethyl)silyl]oxy-5-propan-2-ylnon-6-en-2-one is sourced from PubChem (CID 134833523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).