(7E)-3,3,7-trimethyl-4-triethylsilyloxytrideca-7,12-dienal

C22H42O2Si — CID 25228012

IUPAC(7E)-3,3,7-trimethyl-4-triethylsilyloxytrideca-7,12-dienal
SMILESC=CCCC/C=C(\C)CCC(O[Si](CC)(CC)CC)C(C)(C)CC=O
InChIInChI=1S/C22H42O2Si/c1-8-12-13-14-15-20(5)16-17-21(22(6,7)18-19-23)24-25(9-2,10-3)11-4/h8,15,19,21H,1,9-14,16-18H2,2-7H3/b20-15+
InChIKeyXFDNRPCAAQUXJC-HMMYKYKNSA-N
MW366.66 g/mol
LogP7.07
Rot. Bonds15

About (7E)-3,3,7-trimethyl-4-triethylsilyloxytrideca-7,12-dienal

(7E)-3,3,7-trimethyl-4-triethylsilyloxytrideca-7,12-dienal (PubChem CID 25228012) has the molecular formula C22H42O2Si and a molecular weight of 366.66 g/mol. Its IUPAC name is (7E)-3,3,7-trimethyl-4-triethylsilyloxytrideca-7,12-dienal.

Molecular Properties

Compound Name(7E)-3,3,7-trimethyl-4-triethylsilyloxytrideca-7,12-dienal
PubChem CID25228012
Molecular FormulaC22H42O2Si
Molecular Weight366.66 g/mol
Exact Mass366.30
IUPAC Name(7E)-3,3,7-trimethyl-4-triethylsilyloxytrideca-7,12-dienal
SMILESC=CCCC/C=C(\C)CCC(O[Si](CC)(CC)CC)C(C)(C)CC=O
InChIInChI=1S/C22H42O2Si/c1-8-12-13-14-15-20(5)16-17-21(22(6,7)18-19-23)24-25(9-2,10-3)11-4/h8,15,19,21H,1,9-14,16-18H2,2-7H3/b20-15+
InChIKeyXFDNRPCAAQUXJC-HMMYKYKNSA-N
XLogP7.07
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.66
LogP ≤ 57.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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'}

Analyze (7E)-3,3,7-trimethyl-4-triethylsilyloxytrideca-7,12-dienal with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (7E)-3,3,7-trimethyl-4-triethylsilyloxytrideca-7,12-dienal?
The IUPAC name of (7E)-3,3,7-trimethyl-4-triethylsilyloxytrideca-7,12-dienal (CID 25228012) is (7E)-3,3,7-trimethyl-4-triethylsilyloxytrideca-7,12-dienal.
What is the SMILES notation for (7E)-3,3,7-trimethyl-4-triethylsilyloxytrideca-7,12-dienal?
The canonical SMILES for (7E)-3,3,7-trimethyl-4-triethylsilyloxytrideca-7,12-dienal is C=CCCC/C=C(\C)CCC(O[Si](CC)(CC)CC)C(C)(C)CC=O.
What is the InChIKey of (7E)-3,3,7-trimethyl-4-triethylsilyloxytrideca-7,12-dienal?
The InChIKey is XFDNRPCAAQUXJC-HMMYKYKNSA-N. The full InChI is InChI=1S/C22H42O2Si/c1-8-12-13-14-15-20(5)16-17-21(22(6,7)18-19-23)24-25(9-2,10-3)11-4/h8,15,19,21H,1,9-14,16-18H2,2-7H3/b20-15+.
What are the key properties of (7E)-3,3,7-trimethyl-4-triethylsilyloxytrideca-7,12-dienal?
(7E)-3,3,7-trimethyl-4-triethylsilyloxytrideca-7,12-dienal has a molecular weight of 366.66 g/mol, XLogP of 7.07, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7E)-3,3,7-trimethyl-4-triethylsilyloxytrideca-7,12-dienal is sourced from PubChem (CID 25228012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).