(2E,5R,7E,10E)-8,10-dimethyl-5-trimethylsilyloxytrideca-2,7,10,12-tetraenal

C18H30O2Si — CID 139255883

IUPAC(2E,5R,7E,10E)-8,10-dimethyl-5-trimethylsilyloxytrideca-2,7,10,12-tetraenal
SMILESC=C/C=C(\C)C/C(C)=C/C[C@@H](C/C=C/C=O)O[Si](C)(C)C
InChIInChI=1S/C18H30O2Si/c1-7-10-16(2)15-17(3)12-13-18(11-8-9-14-19)20-21(4,5)6/h7-10,12,14,18H,1,11,13,15H2,2-6H3/b9-8+,16-10+,17-12+/t18-/m1/s1
InChIKeyOHDLVVRBEFZBSB-VNKQXBCKSA-N
MW306.52 g/mol
LogP5.21
Rot. Bonds10

About (2E,5R,7E,10E)-8,10-dimethyl-5-trimethylsilyloxytrideca-2,7,10,12-tetraenal

(2E,5R,7E,10E)-8,10-dimethyl-5-trimethylsilyloxytrideca-2,7,10,12-tetraenal (PubChem CID 139255883) has the molecular formula C18H30O2Si and a molecular weight of 306.52 g/mol. Its IUPAC name is (2E,5R,7E,10E)-8,10-dimethyl-5-trimethylsilyloxytrideca-2,7,10,12-tetraenal.

Molecular Properties

Compound Name(2E,5R,7E,10E)-8,10-dimethyl-5-trimethylsilyloxytrideca-2,7,10,12-tetraenal
PubChem CID139255883
Molecular FormulaC18H30O2Si
Molecular Weight306.52 g/mol
Exact Mass306.20
IUPAC Name(2E,5R,7E,10E)-8,10-dimethyl-5-trimethylsilyloxytrideca-2,7,10,12-tetraenal
SMILESC=C/C=C(\C)C/C(C)=C/C[C@@H](C/C=C/C=O)O[Si](C)(C)C
InChIInChI=1S/C18H30O2Si/c1-7-10-16(2)15-17(3)12-13-18(11-8-9-14-19)20-21(4,5)6/h7-10,12,14,18H,1,11,13,15H2,2-6H3/b9-8+,16-10+,17-12+/t18-/m1/s1
InChIKeyOHDLVVRBEFZBSB-VNKQXBCKSA-N
XLogP5.21
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.52
LogP ≤ 55.21
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2E,5R,7E,10E)-8,10-dimethyl-5-trimethylsilyloxytrideca-2,7,10,12-tetraenal with MolForge

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Related Compounds

(Z,5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enal
CID 11206942
(2E,4E,6E,8S,9S)-9-[tert-butyl(dimethyl)silyl]oxy-8-methylundeca-2,4,6-trienal
CID 11370282
(E,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylhept-2-enal
CID 11380224
(2E,4E)-7-[tert-butyl(dimethyl)silyl]oxyhepta-2,4-dienal
CID 11715676
(2E,4E,9R)-9-[tert-butyl(dimethyl)silyl]oxydeca-2,4-dienal
CID 11732584
(2E,4S,5S,7E,10E)-11-iodo-4,8,10-trimethyl-5-trimethylsilyloxyundeca-2,7,10-trienal
CID 49837205
(2E,4E,6R,7S,8E)-7-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethyl-9-trimethylsilylnona-2,4,8-trienal
CID 101333011
(2Z,4E,6R)-6-[tert-butyl(dimethyl)silyl]oxyocta-2,4-dienal
CID 101493000
(2E,4E,6E,8R,9R)-8,9-bis[[tert-butyl(dimethyl)silyl]oxy]undeca-2,4,6,10-tetraenal
CID 132607456
(2E,4E,6R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylnona-2,4-dienal
CID 134865845
(2E,4E,6E,8R,9S,10E)-9-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethyl-11-trimethylsilylundeca-2,4,6,10-tetraenal
CID 134979332
(2E,4E,6R,7S)-7-[tert-butyl(dimethyl)silyl]oxy-3,4,6-trimethylnona-2,4-dienal
CID 138970956

Frequently Asked Questions

What is the IUPAC name of (2E,5R,7E,10E)-8,10-dimethyl-5-trimethylsilyloxytrideca-2,7,10,12-tetraenal?
The IUPAC name of (2E,5R,7E,10E)-8,10-dimethyl-5-trimethylsilyloxytrideca-2,7,10,12-tetraenal (CID 139255883) is (2E,5R,7E,10E)-8,10-dimethyl-5-trimethylsilyloxytrideca-2,7,10,12-tetraenal.
What is the SMILES notation for (2E,5R,7E,10E)-8,10-dimethyl-5-trimethylsilyloxytrideca-2,7,10,12-tetraenal?
The canonical SMILES for (2E,5R,7E,10E)-8,10-dimethyl-5-trimethylsilyloxytrideca-2,7,10,12-tetraenal is C=C/C=C(\C)C/C(C)=C/C[C@@H](C/C=C/C=O)O[Si](C)(C)C.
What is the InChIKey of (2E,5R,7E,10E)-8,10-dimethyl-5-trimethylsilyloxytrideca-2,7,10,12-tetraenal?
The InChIKey is OHDLVVRBEFZBSB-VNKQXBCKSA-N. The full InChI is InChI=1S/C18H30O2Si/c1-7-10-16(2)15-17(3)12-13-18(11-8-9-14-19)20-21(4,5)6/h7-10,12,14,18H,1,11,13,15H2,2-6H3/b9-8+,16-10+,17-12+/t18-/m1/s1.
What are the key properties of (2E,5R,7E,10E)-8,10-dimethyl-5-trimethylsilyloxytrideca-2,7,10,12-tetraenal?
(2E,5R,7E,10E)-8,10-dimethyl-5-trimethylsilyloxytrideca-2,7,10,12-tetraenal has a molecular weight of 306.52 g/mol, XLogP of 5.21, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5R,7E,10E)-8,10-dimethyl-5-trimethylsilyloxytrideca-2,7,10,12-tetraenal is sourced from PubChem (CID 139255883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).