(3S,5Z)-3-[tert-butyl(dimethyl)silyl]oxy-6-methylnona-5,8-dien-2-one

C16H30O2Si — CID 45258940

IUPAC(3S,5Z)-3-[tert-butyl(dimethyl)silyl]oxy-6-methylnona-5,8-dien-2-one
SMILESC=CC/C(C)=C\C[C@H](O[Si](C)(C)C(C)(C)C)C(C)=O
InChIInChI=1S/C16H30O2Si/c1-9-10-13(2)11-12-15(14(3)17)18-19(7,8)16(4,5)6/h9,11,15H,1,10,12H2,2-8H3/b13-11-/t15-/m0/s1
InChIKeyUALYBMPOACSOSN-HVCHUGMYSA-N
MW282.50 g/mol
LogP4.88
Rot. Bonds7

About (3S,5Z)-3-[tert-butyl(dimethyl)silyl]oxy-6-methylnona-5,8-dien-2-one

(3S,5Z)-3-[tert-butyl(dimethyl)silyl]oxy-6-methylnona-5,8-dien-2-one (PubChem CID 45258940) has the molecular formula C16H30O2Si and a molecular weight of 282.50 g/mol. Its IUPAC name is (3S,5Z)-3-[tert-butyl(dimethyl)silyl]oxy-6-methylnona-5,8-dien-2-one.

Molecular Properties

Compound Name(3S,5Z)-3-[tert-butyl(dimethyl)silyl]oxy-6-methylnona-5,8-dien-2-one
PubChem CID45258940
Molecular FormulaC16H30O2Si
Molecular Weight282.50 g/mol
Exact Mass282.20
IUPAC Name(3S,5Z)-3-[tert-butyl(dimethyl)silyl]oxy-6-methylnona-5,8-dien-2-one
SMILESC=CC/C(C)=C\C[C@H](O[Si](C)(C)C(C)(C)C)C(C)=O
InChIInChI=1S/C16H30O2Si/c1-9-10-13(2)11-12-15(14(3)17)18-19(7,8)16(4,5)6/h9,11,15H,1,10,12H2,2-8H3/b13-11-/t15-/m0/s1
InChIKeyUALYBMPOACSOSN-HVCHUGMYSA-N
XLogP4.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.50
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 (3S,5Z)-3-[tert-butyl(dimethyl)silyl]oxy-6-methylnona-5,8-dien-2-one?
The IUPAC name of (3S,5Z)-3-[tert-butyl(dimethyl)silyl]oxy-6-methylnona-5,8-dien-2-one (CID 45258940) is (3S,5Z)-3-[tert-butyl(dimethyl)silyl]oxy-6-methylnona-5,8-dien-2-one.
What is the SMILES notation for (3S,5Z)-3-[tert-butyl(dimethyl)silyl]oxy-6-methylnona-5,8-dien-2-one?
The canonical SMILES for (3S,5Z)-3-[tert-butyl(dimethyl)silyl]oxy-6-methylnona-5,8-dien-2-one is C=CC/C(C)=C\C[C@H](O[Si](C)(C)C(C)(C)C)C(C)=O.
What is the InChIKey of (3S,5Z)-3-[tert-butyl(dimethyl)silyl]oxy-6-methylnona-5,8-dien-2-one?
The InChIKey is UALYBMPOACSOSN-HVCHUGMYSA-N. The full InChI is InChI=1S/C16H30O2Si/c1-9-10-13(2)11-12-15(14(3)17)18-19(7,8)16(4,5)6/h9,11,15H,1,10,12H2,2-8H3/b13-11-/t15-/m0/s1.
What are the key properties of (3S,5Z)-3-[tert-butyl(dimethyl)silyl]oxy-6-methylnona-5,8-dien-2-one?
(3S,5Z)-3-[tert-butyl(dimethyl)silyl]oxy-6-methylnona-5,8-dien-2-one has a molecular weight of 282.50 g/mol, XLogP of 4.88, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5Z)-3-[tert-butyl(dimethyl)silyl]oxy-6-methylnona-5,8-dien-2-one is sourced from PubChem (CID 45258940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).