(2E,6Z)-8-[tert-butyl(dimethyl)silyl]oxy-4,4,7-trimethylundeca-2,6-dien-10-ynal

C20H34O2Si — CID 11088951

IUPAC(2E,6Z)-8-[tert-butyl(dimethyl)silyl]oxy-4,4,7-trimethylundeca-2,6-dien-10-ynal
SMILESC#CCC(O[Si](C)(C)C(C)(C)C)/C(C)=C\CC(C)(C)/C=C/C=O
InChIInChI=1S/C20H34O2Si/c1-10-12-18(22-23(8,9)19(3,4)5)17(2)13-15-20(6,7)14-11-16-21/h1,11,13-14,16,18H,12,15H2,2-9H3/b14-11+,17-13-
InChIKeyPCUDBNXOQWLWHS-COPNHUPCSA-N
MW334.58 g/mol
LogP5.52
Rot. Bonds8

About (2E,6Z)-8-[tert-butyl(dimethyl)silyl]oxy-4,4,7-trimethylundeca-2,6-dien-10-ynal

(2E,6Z)-8-[tert-butyl(dimethyl)silyl]oxy-4,4,7-trimethylundeca-2,6-dien-10-ynal (PubChem CID 11088951) has the molecular formula C20H34O2Si and a molecular weight of 334.58 g/mol. Its IUPAC name is (2E,6Z)-8-[tert-butyl(dimethyl)silyl]oxy-4,4,7-trimethylundeca-2,6-dien-10-ynal.

Molecular Properties

Compound Name(2E,6Z)-8-[tert-butyl(dimethyl)silyl]oxy-4,4,7-trimethylundeca-2,6-dien-10-ynal
PubChem CID11088951
Molecular FormulaC20H34O2Si
Molecular Weight334.58 g/mol
Exact Mass334.23
IUPAC Name(2E,6Z)-8-[tert-butyl(dimethyl)silyl]oxy-4,4,7-trimethylundeca-2,6-dien-10-ynal
SMILESC#CCC(O[Si](C)(C)C(C)(C)C)/C(C)=C\CC(C)(C)/C=C/C=O
InChIInChI=1S/C20H34O2Si/c1-10-12-18(22-23(8,9)19(3,4)5)17(2)13-15-20(6,7)14-11-16-21/h1,11,13-14,16,18H,12,15H2,2-9H3/b14-11+,17-13-
InChIKeyPCUDBNXOQWLWHS-COPNHUPCSA-N
XLogP5.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.58
LogP ≤ 55.52
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': 'triple_bond', 'substructure': 'N/A'}

Analyze (2E,6Z)-8-[tert-butyl(dimethyl)silyl]oxy-4,4,7-trimethylundeca-2,6-dien-10-ynal 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 (2E,6Z)-8-[tert-butyl(dimethyl)silyl]oxy-4,4,7-trimethylundeca-2,6-dien-10-ynal?
The IUPAC name of (2E,6Z)-8-[tert-butyl(dimethyl)silyl]oxy-4,4,7-trimethylundeca-2,6-dien-10-ynal (CID 11088951) is (2E,6Z)-8-[tert-butyl(dimethyl)silyl]oxy-4,4,7-trimethylundeca-2,6-dien-10-ynal.
What is the SMILES notation for (2E,6Z)-8-[tert-butyl(dimethyl)silyl]oxy-4,4,7-trimethylundeca-2,6-dien-10-ynal?
The canonical SMILES for (2E,6Z)-8-[tert-butyl(dimethyl)silyl]oxy-4,4,7-trimethylundeca-2,6-dien-10-ynal is C#CCC(O[Si](C)(C)C(C)(C)C)/C(C)=C\CC(C)(C)/C=C/C=O.
What is the InChIKey of (2E,6Z)-8-[tert-butyl(dimethyl)silyl]oxy-4,4,7-trimethylundeca-2,6-dien-10-ynal?
The InChIKey is PCUDBNXOQWLWHS-COPNHUPCSA-N. The full InChI is InChI=1S/C20H34O2Si/c1-10-12-18(22-23(8,9)19(3,4)5)17(2)13-15-20(6,7)14-11-16-21/h1,11,13-14,16,18H,12,15H2,2-9H3/b14-11+,17-13-.
What are the key properties of (2E,6Z)-8-[tert-butyl(dimethyl)silyl]oxy-4,4,7-trimethylundeca-2,6-dien-10-ynal?
(2E,6Z)-8-[tert-butyl(dimethyl)silyl]oxy-4,4,7-trimethylundeca-2,6-dien-10-ynal has a molecular weight of 334.58 g/mol, XLogP of 5.52, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6Z)-8-[tert-butyl(dimethyl)silyl]oxy-4,4,7-trimethylundeca-2,6-dien-10-ynal is sourced from PubChem (CID 11088951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).