(2E,7Z)-9-trimethylsilyl-2-[(Z)-5-trimethylsilylpent-3-enyl]nona-2,7-dienal

C20H38OSi2 — CID 14562860

IUPAC(2E,7Z)-9-trimethylsilyl-2-[(Z)-5-trimethylsilylpent-3-enyl]nona-2,7-dienal
SMILESC[Si](C)(C)C/C=C\CCC/C=C(/C=O)CC/C=C\C[Si](C)(C)C
InChIInChI=1S/C20H38OSi2/c1-22(2,3)17-13-9-7-8-11-15-20(19-21)16-12-10-14-18-23(4,5)6/h9-10,13-15,19H,7-8,11-12,16-18H2,1-6H3/b13-9-,14-10-,20-15+
InChIKeyOIEQLHMXAMUGPO-RKAFZFQMSA-N
MW350.70 g/mol
LogP6.85
Rot. Bonds12

About (2E,7Z)-9-trimethylsilyl-2-[(Z)-5-trimethylsilylpent-3-enyl]nona-2,7-dienal

(2E,7Z)-9-trimethylsilyl-2-[(Z)-5-trimethylsilylpent-3-enyl]nona-2,7-dienal (PubChem CID 14562860) has the molecular formula C20H38OSi2 and a molecular weight of 350.70 g/mol. Its IUPAC name is (2E,7Z)-9-trimethylsilyl-2-[(Z)-5-trimethylsilylpent-3-enyl]nona-2,7-dienal.

Molecular Properties

Compound Name(2E,7Z)-9-trimethylsilyl-2-[(Z)-5-trimethylsilylpent-3-enyl]nona-2,7-dienal
PubChem CID14562860
Molecular FormulaC20H38OSi2
Molecular Weight350.70 g/mol
Exact Mass350.25
IUPAC Name(2E,7Z)-9-trimethylsilyl-2-[(Z)-5-trimethylsilylpent-3-enyl]nona-2,7-dienal
SMILESC[Si](C)(C)C/C=C\CCC/C=C(/C=O)CC/C=C\C[Si](C)(C)C
InChIInChI=1S/C20H38OSi2/c1-22(2,3)17-13-9-7-8-11-15-20(19-21)16-12-10-14-18-23(4,5)6/h9-10,13-15,19H,7-8,11-12,16-18H2,1-6H3/b13-9-,14-10-,20-15+
InChIKeyOIEQLHMXAMUGPO-RKAFZFQMSA-N
XLogP6.85
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.70
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,7Z)-9-trimethylsilyl-2-[(Z)-5-trimethylsilylpent-3-enyl]nona-2,7-dienal?
The IUPAC name of (2E,7Z)-9-trimethylsilyl-2-[(Z)-5-trimethylsilylpent-3-enyl]nona-2,7-dienal (CID 14562860) is (2E,7Z)-9-trimethylsilyl-2-[(Z)-5-trimethylsilylpent-3-enyl]nona-2,7-dienal.
What is the SMILES notation for (2E,7Z)-9-trimethylsilyl-2-[(Z)-5-trimethylsilylpent-3-enyl]nona-2,7-dienal?
The canonical SMILES for (2E,7Z)-9-trimethylsilyl-2-[(Z)-5-trimethylsilylpent-3-enyl]nona-2,7-dienal is C[Si](C)(C)C/C=C\CCC/C=C(/C=O)CC/C=C\C[Si](C)(C)C.
What is the InChIKey of (2E,7Z)-9-trimethylsilyl-2-[(Z)-5-trimethylsilylpent-3-enyl]nona-2,7-dienal?
The InChIKey is OIEQLHMXAMUGPO-RKAFZFQMSA-N. The full InChI is InChI=1S/C20H38OSi2/c1-22(2,3)17-13-9-7-8-11-15-20(19-21)16-12-10-14-18-23(4,5)6/h9-10,13-15,19H,7-8,11-12,16-18H2,1-6H3/b13-9-,14-10-,20-15+.
What are the key properties of (2E,7Z)-9-trimethylsilyl-2-[(Z)-5-trimethylsilylpent-3-enyl]nona-2,7-dienal?
(2E,7Z)-9-trimethylsilyl-2-[(Z)-5-trimethylsilylpent-3-enyl]nona-2,7-dienal has a molecular weight of 350.70 g/mol, XLogP of 6.85, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,7Z)-9-trimethylsilyl-2-[(Z)-5-trimethylsilylpent-3-enyl]nona-2,7-dienal is sourced from PubChem (CID 14562860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).