[(4Z)-6-triethylsilyloxycyclododec-4-en-1-yl] acetate

C20H38O3Si — CID 140589441

IUPAC[(4Z)-6-triethylsilyloxycyclododec-4-en-1-yl] acetate
SMILESCC[Si](CC)(CC)OC1/C=C\CCC(OC(C)=O)CCCCCC1
InChIInChI=1S/C20H38O3Si/c1-5-24(6-2,7-3)23-20-16-11-9-8-10-14-19(22-18(4)21)15-12-13-17-20/h13,17,19-20H,5-12,14-16H2,1-4H3/b17-13-
InChIKeyJGZJPLKZEIPGBV-LGMDPLHJSA-N
MW354.61 g/mol
LogP6.00
Rot. Bonds6

About [(4Z)-6-triethylsilyloxycyclododec-4-en-1-yl] acetate

[(4Z)-6-triethylsilyloxycyclododec-4-en-1-yl] acetate (PubChem CID 140589441) has the molecular formula C20H38O3Si and a molecular weight of 354.61 g/mol. Its IUPAC name is [(4Z)-6-triethylsilyloxycyclododec-4-en-1-yl] acetate.

Molecular Properties

Compound Name[(4Z)-6-triethylsilyloxycyclododec-4-en-1-yl] acetate
PubChem CID140589441
Molecular FormulaC20H38O3Si
Molecular Weight354.61 g/mol
Exact Mass354.26
IUPAC Name[(4Z)-6-triethylsilyloxycyclododec-4-en-1-yl] acetate
SMILESCC[Si](CC)(CC)OC1/C=C\CCC(OC(C)=O)CCCCCC1
InChIInChI=1S/C20H38O3Si/c1-5-24(6-2,7-3)23-20-16-11-9-8-10-14-19(22-18(4)21)15-12-13-17-20/h13,17,19-20H,5-12,14-16H2,1-4H3/b17-13-
InChIKeyJGZJPLKZEIPGBV-LGMDPLHJSA-N
XLogP6.00
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.61
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(4Z)-6-triethylsilyloxycyclododec-4-en-1-yl] acetate 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

(2s,12z)-2-Acetoxy-12-heptadecene
CID 16656794
13-Trimethylsiloxy 9,11-octadecadienoic methyl ester
CID 85931395
(13s,9e,11e)-Methyl 13-t-butyldimethylsilyloxy-9,11-tetradecadienoate
CID 129703585
(E)-tert-Butyl 11-(tert-butyldimethylsilyloxy)-2-undecenoate
CID 24859311
[(E)-7-[tert-butyl(dimethyl)silyl]oxy-7-methyloct-5-enyl] acetate
CID 58918255
Heptadec-12-en-2-yl acetate
CID 73299845
(z)-2-Acetoxy-12-heptadecene
CID 87813770
(z)-2-Acetoxy-10-heptadecene
CID 87814114
(2R,12Z)-2-acetoxy-12-heptadecene
CID 87814157
(e)-2-Acetoxy-13-heptadecene
CID 87814650
[(2S)-heptadec-12-en-2-yl] acetate
CID 91251913
Silane, dimethyl(oct-3-en-2-yloxy)octyloxy-
CID 91739055

Frequently Asked Questions

What is the IUPAC name of [(4Z)-6-triethylsilyloxycyclododec-4-en-1-yl] acetate?
The IUPAC name of [(4Z)-6-triethylsilyloxycyclododec-4-en-1-yl] acetate (CID 140589441) is [(4Z)-6-triethylsilyloxycyclododec-4-en-1-yl] acetate.
What is the SMILES notation for [(4Z)-6-triethylsilyloxycyclododec-4-en-1-yl] acetate?
The canonical SMILES for [(4Z)-6-triethylsilyloxycyclododec-4-en-1-yl] acetate is CC[Si](CC)(CC)OC1/C=C\CCC(OC(C)=O)CCCCCC1.
What is the InChIKey of [(4Z)-6-triethylsilyloxycyclododec-4-en-1-yl] acetate?
The InChIKey is JGZJPLKZEIPGBV-LGMDPLHJSA-N. The full InChI is InChI=1S/C20H38O3Si/c1-5-24(6-2,7-3)23-20-16-11-9-8-10-14-19(22-18(4)21)15-12-13-17-20/h13,17,19-20H,5-12,14-16H2,1-4H3/b17-13-.
What are the key properties of [(4Z)-6-triethylsilyloxycyclododec-4-en-1-yl] acetate?
[(4Z)-6-triethylsilyloxycyclododec-4-en-1-yl] acetate has a molecular weight of 354.61 g/mol, XLogP of 6.00, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4Z)-6-triethylsilyloxycyclododec-4-en-1-yl] acetate is sourced from PubChem (CID 140589441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).