(5R,6S,7E,9E)-5,7,9-trimethyl-6-triethylsilyloxyundeca-7,9-dien-4-one

C20H38O2Si — CID 134865994

IUPAC(5R,6S,7E,9E)-5,7,9-trimethyl-6-triethylsilyloxyundeca-7,9-dien-4-one
SMILESC/C=C(C)/C=C(\C)[C@@H](O[Si](CC)(CC)CC)[C@@H](C)C(=O)CCC
InChIInChI=1S/C20H38O2Si/c1-9-14-19(21)18(8)20(17(7)15-16(6)10-2)22-23(11-3,12-4)13-5/h10,15,18,20H,9,11-14H2,1-8H3/b16-10+,17-15+/t18-,20+/m0/s1
InChIKeyUQJWJXFPGSMXHO-KONMGHDVSA-N
MW338.61 g/mol
LogP6.29
Rot. Bonds11

About (5R,6S,7E,9E)-5,7,9-trimethyl-6-triethylsilyloxyundeca-7,9-dien-4-one

(5R,6S,7E,9E)-5,7,9-trimethyl-6-triethylsilyloxyundeca-7,9-dien-4-one (PubChem CID 134865994) has the molecular formula C20H38O2Si and a molecular weight of 338.61 g/mol. Its IUPAC name is (5R,6S,7E,9E)-5,7,9-trimethyl-6-triethylsilyloxyundeca-7,9-dien-4-one.

Molecular Properties

Compound Name(5R,6S,7E,9E)-5,7,9-trimethyl-6-triethylsilyloxyundeca-7,9-dien-4-one
PubChem CID134865994
Molecular FormulaC20H38O2Si
Molecular Weight338.61 g/mol
Exact Mass338.26
IUPAC Name(5R,6S,7E,9E)-5,7,9-trimethyl-6-triethylsilyloxyundeca-7,9-dien-4-one
SMILESC/C=C(C)/C=C(\C)[C@@H](O[Si](CC)(CC)CC)[C@@H](C)C(=O)CCC
InChIInChI=1S/C20H38O2Si/c1-9-14-19(21)18(8)20(17(7)15-16(6)10-2)22-23(11-3,12-4)13-5/h10,15,18,20H,9,11-14H2,1-8H3/b16-10+,17-15+/t18-,20+/m0/s1
InChIKeyUQJWJXFPGSMXHO-KONMGHDVSA-N
XLogP6.29
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.61
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (5R,6S,7E,9E)-5,7,9-trimethyl-6-triethylsilyloxyundeca-7,9-dien-4-one with MolForge

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Related Compounds

(E,2S,6R,8S,9S)-9-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethyl-10-methylidene-7-oxododec-4-enal
CID 10250059
(4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-methylideneoctan-3-one
CID 10265921
(12R,13R,15R)-13-[tert-butyl(dimethyl)silyl]oxy-15-propan-2-ylbicyclo[10.2.1]pentadec-1(14)-en-3-one
CID 11372788
(3S,4R,5S,7R,8E,10E,13R,14Z)-15-iodo-3,5,7,9,13-pentamethyl-4-tri(propan-2-yl)silyloxyheptadeca-8,10,14-trien-6-one
CID 11467680
(E,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylnon-6-en-3-one
CID 11472059
(2R,4S,8E,10E)-7-hydroxy-2,4-dimethyl-1-triethylsilyloxydodeca-8,10-dien-5-one
CID 11703131
(4S,7E,9S)-2,4,8-trimethyl-6-methylidene-9-triethylsilyloxyundeca-1,7-dien-3-one
CID 23726369
(3R,4R,5E,7E)-4,9-bis[[tert-butyl(dimethyl)silyl]oxy]-3,6-dimethylnona-5,7-dien-2-one
CID 44254365
(3R,4S,5E,7E)-4-[tert-butyl(dimethyl)silyl]oxy-3,5,7-trimethylnona-5,7-dien-2-one
CID 134852710
(3Z,5S,6S,7R,9S,11Z,13S,14R,15S)-14,16-bis[[tert-butyl(dimethyl)silyl]oxy]-5,7,9,11,13,15-hexamethyl-6-trimethylsilyloxyhexadeca-1,3,11-trien-8-one
CID 134950439
(8E,10E)-7-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-oxododeca-8,10-dienal
CID 134973762
1-(4-Methyl-2-trimethylsilyloxycyclohex-3-en-1-yl)ethanone
CID 552995

Frequently Asked Questions

What is the IUPAC name of (5R,6S,7E,9E)-5,7,9-trimethyl-6-triethylsilyloxyundeca-7,9-dien-4-one?
The IUPAC name of (5R,6S,7E,9E)-5,7,9-trimethyl-6-triethylsilyloxyundeca-7,9-dien-4-one (CID 134865994) is (5R,6S,7E,9E)-5,7,9-trimethyl-6-triethylsilyloxyundeca-7,9-dien-4-one.
What is the SMILES notation for (5R,6S,7E,9E)-5,7,9-trimethyl-6-triethylsilyloxyundeca-7,9-dien-4-one?
The canonical SMILES for (5R,6S,7E,9E)-5,7,9-trimethyl-6-triethylsilyloxyundeca-7,9-dien-4-one is C/C=C(C)/C=C(\C)[C@@H](O[Si](CC)(CC)CC)[C@@H](C)C(=O)CCC.
What is the InChIKey of (5R,6S,7E,9E)-5,7,9-trimethyl-6-triethylsilyloxyundeca-7,9-dien-4-one?
The InChIKey is UQJWJXFPGSMXHO-KONMGHDVSA-N. The full InChI is InChI=1S/C20H38O2Si/c1-9-14-19(21)18(8)20(17(7)15-16(6)10-2)22-23(11-3,12-4)13-5/h10,15,18,20H,9,11-14H2,1-8H3/b16-10+,17-15+/t18-,20+/m0/s1.
What are the key properties of (5R,6S,7E,9E)-5,7,9-trimethyl-6-triethylsilyloxyundeca-7,9-dien-4-one?
(5R,6S,7E,9E)-5,7,9-trimethyl-6-triethylsilyloxyundeca-7,9-dien-4-one has a molecular weight of 338.61 g/mol, XLogP of 6.29, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S,7E,9E)-5,7,9-trimethyl-6-triethylsilyloxyundeca-7,9-dien-4-one is sourced from PubChem (CID 134865994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).