(2S,3S,4E,6E)-2,4,6-trimethyl-3-triethylsilyloxyocta-4,6-dienal

C17H32O2Si — CID 56968569

IUPAC(2S,3S,4E,6E)-2,4,6-trimethyl-3-triethylsilyloxyocta-4,6-dienal
SMILESC/C=C(C)/C=C(\C)[C@@H](O[Si](CC)(CC)CC)C(C)C=O
InChIInChI=1S/C17H32O2Si/c1-8-14(5)12-15(6)17(16(7)13-18)19-20(9-2,10-3)11-4/h8,12-13,16-17H,9-11H2,1-7H3/b14-8+,15-12+/t16?,17-/m1/s1
InChIKeyBRGJEFNRXVLMHQ-IOZJAYHTSA-N
MW296.53 g/mol
LogP5.12
Rot. Bonds9

About (2S,3S,4E,6E)-2,4,6-trimethyl-3-triethylsilyloxyocta-4,6-dienal

(2S,3S,4E,6E)-2,4,6-trimethyl-3-triethylsilyloxyocta-4,6-dienal (PubChem CID 56968569) has the molecular formula C17H32O2Si and a molecular weight of 296.53 g/mol. Its IUPAC name is (2S,3S,4E,6E)-2,4,6-trimethyl-3-triethylsilyloxyocta-4,6-dienal.

Molecular Properties

Compound Name(2S,3S,4E,6E)-2,4,6-trimethyl-3-triethylsilyloxyocta-4,6-dienal
PubChem CID56968569
Molecular FormulaC17H32O2Si
Molecular Weight296.53 g/mol
Exact Mass296.22
IUPAC Name(2S,3S,4E,6E)-2,4,6-trimethyl-3-triethylsilyloxyocta-4,6-dienal
SMILESC/C=C(C)/C=C(\C)[C@@H](O[Si](CC)(CC)CC)C(C)C=O
InChIInChI=1S/C17H32O2Si/c1-8-14(5)12-15(6)17(16(7)13-18)19-20(9-2,10-3)11-4/h8,12-13,16-17H,9-11H2,1-7H3/b14-8+,15-12+/t16?,17-/m1/s1
InChIKeyBRGJEFNRXVLMHQ-IOZJAYHTSA-N
XLogP5.12
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.53
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2S,3S,4E,6E)-2,4,6-trimethyl-3-triethylsilyloxyocta-4,6-dienal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-4-enal
CID 11470861
(9s,5z,7e)-9-t-Butyldimethylsilyloxy-5,7-decadienal
CID 129706388
(2R,3S,4R,6E,8E)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyldeca-6,8-dienal
CID 71546754
(E,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-4-enal
CID 11149545
(E,2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-4-enal
CID 11345885
(E,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-4-enal
CID 11402630
(3R,4R,5E,7E)-4,9-bis[[tert-butyl(dimethyl)silyl]oxy]-3,6-dimethylnona-5,7-dien-2-one
CID 44254365
(E,2R,3R,6S,7R)-3-hydroxy-2,4,6-trimethyl-7-triethylsilyloxyoct-4-enal
CID 49836102
(9s,5e,7e)-9-t-Butyldimethylsilyloxy-5,7-decadienal
CID 129706211
(2R,3R,4E,6E)-3,8-bis[[tert-butyl(dimethyl)silyl]oxy]-2,5-dimethylocta-4,6-dienal
CID 134845961
(3R,4S,5E,7E)-4-[tert-butyl(dimethyl)silyl]oxy-3,5,7-trimethylnona-5,7-dien-2-one
CID 134852710
(2R,3S,4E,6E)-2,4,6-trimethyl-3-triethylsilyloxyocta-4,6-dienal
CID 135037209

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4E,6E)-2,4,6-trimethyl-3-triethylsilyloxyocta-4,6-dienal?
The IUPAC name of (2S,3S,4E,6E)-2,4,6-trimethyl-3-triethylsilyloxyocta-4,6-dienal (CID 56968569) is (2S,3S,4E,6E)-2,4,6-trimethyl-3-triethylsilyloxyocta-4,6-dienal.
What is the SMILES notation for (2S,3S,4E,6E)-2,4,6-trimethyl-3-triethylsilyloxyocta-4,6-dienal?
The canonical SMILES for (2S,3S,4E,6E)-2,4,6-trimethyl-3-triethylsilyloxyocta-4,6-dienal is C/C=C(C)/C=C(\C)[C@@H](O[Si](CC)(CC)CC)C(C)C=O.
What is the InChIKey of (2S,3S,4E,6E)-2,4,6-trimethyl-3-triethylsilyloxyocta-4,6-dienal?
The InChIKey is BRGJEFNRXVLMHQ-IOZJAYHTSA-N. The full InChI is InChI=1S/C17H32O2Si/c1-8-14(5)12-15(6)17(16(7)13-18)19-20(9-2,10-3)11-4/h8,12-13,16-17H,9-11H2,1-7H3/b14-8+,15-12+/t16?,17-/m1/s1.
What are the key properties of (2S,3S,4E,6E)-2,4,6-trimethyl-3-triethylsilyloxyocta-4,6-dienal?
(2S,3S,4E,6E)-2,4,6-trimethyl-3-triethylsilyloxyocta-4,6-dienal has a molecular weight of 296.53 g/mol, XLogP of 5.12, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4E,6E)-2,4,6-trimethyl-3-triethylsilyloxyocta-4,6-dienal is sourced from PubChem (CID 56968569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).