(2R,4S,8E,10E)-7-hydroxy-2,4-dimethyl-1-triethylsilyloxydodeca-8,10-dien-5-one

C20H38O3Si — CID 11703131

IUPAC(2R,4S,8E,10E)-7-hydroxy-2,4-dimethyl-1-triethylsilyloxydodeca-8,10-dien-5-one
SMILESC/C=C/C=C/C(O)CC(=O)[C@@H](C)C[C@@H](C)CO[Si](CC)(CC)CC
InChIInChI=1S/C20H38O3Si/c1-7-11-12-13-19(21)15-20(22)18(6)14-17(5)16-23-24(8-2,9-3)10-4/h7,11-13,17-19,21H,8-10,14-16H2,1-6H3/b11-7+,13-12+/t17-,18+,19?/m1/s1
InChIKeyCDLXYDSFMLDIMN-GUNDJPJMSA-N
MW354.61 g/mol
LogP5.12
Rot. Bonds13

About (2R,4S,8E,10E)-7-hydroxy-2,4-dimethyl-1-triethylsilyloxydodeca-8,10-dien-5-one

(2R,4S,8E,10E)-7-hydroxy-2,4-dimethyl-1-triethylsilyloxydodeca-8,10-dien-5-one (PubChem CID 11703131) has the molecular formula C20H38O3Si and a molecular weight of 354.61 g/mol. Its IUPAC name is (2R,4S,8E,10E)-7-hydroxy-2,4-dimethyl-1-triethylsilyloxydodeca-8,10-dien-5-one.

Molecular Properties

Compound Name(2R,4S,8E,10E)-7-hydroxy-2,4-dimethyl-1-triethylsilyloxydodeca-8,10-dien-5-one
PubChem CID11703131
Molecular FormulaC20H38O3Si
Molecular Weight354.61 g/mol
Exact Mass354.26
IUPAC Name(2R,4S,8E,10E)-7-hydroxy-2,4-dimethyl-1-triethylsilyloxydodeca-8,10-dien-5-one
SMILESC/C=C/C=C/C(O)CC(=O)[C@@H](C)C[C@@H](C)CO[Si](CC)(CC)CC
InChIInChI=1S/C20H38O3Si/c1-7-11-12-13-19(21)15-20(22)18(6)14-17(5)16-23-24(8-2,9-3)10-4/h7,11-13,17-19,21H,8-10,14-16H2,1-6H3/b11-7+,13-12+/t17-,18+,19?/m1/s1
InChIKeyCDLXYDSFMLDIMN-GUNDJPJMSA-N
XLogP5.12
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.61
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2R,4S,8E,10E)-7-hydroxy-2,4-dimethyl-1-triethylsilyloxydodeca-8,10-dien-5-one with MolForge

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Launch Full Analysis

Related Compounds

2-[(E,2R,3R)-1-hydroxy-2-propan-2-yl-3-triethylsilyloxyhex-4-enyl]cyclopentan-1-one
CID 44516075
(5R,6S,7E,9E)-5,7,9-trimethyl-6-triethylsilyloxyundeca-7,9-dien-4-one
CID 134865994
(E,3R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methyldec-8-en-5-one
CID 134904239
(E,2S,5S)-6-hydroxy-5-methyl-2-tri(propan-2-yl)silyloxynon-7-en-4-one
CID 134930532
(E,2S,5R)-6-hydroxy-5-methyl-2-tri(propan-2-yl)silyloxynon-7-en-4-one
CID 134930533
(2E,4R,6S,7S,8E,10S,11R,12S)-1,11-bis[[tert-butyl(dimethyl)silyl]oxy]-7-hydroxy-2,4,6,8,10,12-hexamethyldocosa-2,8-dien-5-one
CID 134940134
2-[(E,2S,3S)-1-hydroxy-2-propan-2-yl-3-triethylsilyloxyhex-4-enyl]cyclopentan-1-one
CID 135019354
2-[(E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyhex-4-enyl]cyclopentan-1-one
CID 135019853
2-[(E)-3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyhex-4-enyl]cyclopentan-1-one
CID 135019914
(E,2S,5S,6R)-6-hydroxy-5-methyl-2-tri(propan-2-yl)silyloxynon-7-en-4-one
CID 12156229
(E,2R,4S,5S)-5-hydroxy-2,4,6-trimethyl-1-tri(propan-2-yl)silyloxyoct-6-en-3-one
CID 101204275
3-[(3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-2-(hydroxymethyl)cyclopentan-1-one
CID 70615316

Frequently Asked Questions

What is the IUPAC name of (2R,4S,8E,10E)-7-hydroxy-2,4-dimethyl-1-triethylsilyloxydodeca-8,10-dien-5-one?
The IUPAC name of (2R,4S,8E,10E)-7-hydroxy-2,4-dimethyl-1-triethylsilyloxydodeca-8,10-dien-5-one (CID 11703131) is (2R,4S,8E,10E)-7-hydroxy-2,4-dimethyl-1-triethylsilyloxydodeca-8,10-dien-5-one.
What is the SMILES notation for (2R,4S,8E,10E)-7-hydroxy-2,4-dimethyl-1-triethylsilyloxydodeca-8,10-dien-5-one?
The canonical SMILES for (2R,4S,8E,10E)-7-hydroxy-2,4-dimethyl-1-triethylsilyloxydodeca-8,10-dien-5-one is C/C=C/C=C/C(O)CC(=O)[C@@H](C)C[C@@H](C)CO[Si](CC)(CC)CC.
What is the InChIKey of (2R,4S,8E,10E)-7-hydroxy-2,4-dimethyl-1-triethylsilyloxydodeca-8,10-dien-5-one?
The InChIKey is CDLXYDSFMLDIMN-GUNDJPJMSA-N. The full InChI is InChI=1S/C20H38O3Si/c1-7-11-12-13-19(21)15-20(22)18(6)14-17(5)16-23-24(8-2,9-3)10-4/h7,11-13,17-19,21H,8-10,14-16H2,1-6H3/b11-7+,13-12+/t17-,18+,19?/m1/s1.
What are the key properties of (2R,4S,8E,10E)-7-hydroxy-2,4-dimethyl-1-triethylsilyloxydodeca-8,10-dien-5-one?
(2R,4S,8E,10E)-7-hydroxy-2,4-dimethyl-1-triethylsilyloxydodeca-8,10-dien-5-one has a molecular weight of 354.61 g/mol, XLogP of 5.12, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,8E,10E)-7-hydroxy-2,4-dimethyl-1-triethylsilyloxydodeca-8,10-dien-5-one is sourced from PubChem (CID 11703131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).