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

C21H40O3Si — CID 140589438

IUPAC[(4Z)-6-triethylsilyloxycyclotridec-4-en-1-yl] acetate
SMILESCC[Si](CC)(CC)OC1/C=C\CCC(OC(C)=O)CCCCCCC1
InChIInChI=1S/C21H40O3Si/c1-5-25(6-2,7-3)24-21-17-12-10-8-9-11-15-20(23-19(4)22)16-13-14-18-21/h14,18,20-21H,5-13,15-17H2,1-4H3/b18-14-
InChIKeyOTYRUJSIIWQTCN-JXAWBTAJSA-N
MW368.63 g/mol
LogP6.39
Rot. Bonds6

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

[(4Z)-6-triethylsilyloxycyclotridec-4-en-1-yl] acetate (PubChem CID 140589438) has the molecular formula C21H40O3Si and a molecular weight of 368.63 g/mol. Its IUPAC name is [(4Z)-6-triethylsilyloxycyclotridec-4-en-1-yl] acetate.

Molecular Properties

Compound Name[(4Z)-6-triethylsilyloxycyclotridec-4-en-1-yl] acetate
PubChem CID140589438
Molecular FormulaC21H40O3Si
Molecular Weight368.63 g/mol
Exact Mass368.27
IUPAC Name[(4Z)-6-triethylsilyloxycyclotridec-4-en-1-yl] acetate
SMILESCC[Si](CC)(CC)OC1/C=C\CCC(OC(C)=O)CCCCCCC1
InChIInChI=1S/C21H40O3Si/c1-5-25(6-2,7-3)24-21-17-12-10-8-9-11-15-20(23-19(4)22)16-13-14-18-21/h14,18,20-21H,5-13,15-17H2,1-4H3/b18-14-
InChIKeyOTYRUJSIIWQTCN-JXAWBTAJSA-N
XLogP6.39
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.63
LogP ≤ 56.39
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'}

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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-triethylsilyloxycyclotridec-4-en-1-yl] acetate?
The IUPAC name of [(4Z)-6-triethylsilyloxycyclotridec-4-en-1-yl] acetate (CID 140589438) is [(4Z)-6-triethylsilyloxycyclotridec-4-en-1-yl] acetate.
What is the SMILES notation for [(4Z)-6-triethylsilyloxycyclotridec-4-en-1-yl] acetate?
The canonical SMILES for [(4Z)-6-triethylsilyloxycyclotridec-4-en-1-yl] acetate is CC[Si](CC)(CC)OC1/C=C\CCC(OC(C)=O)CCCCCCC1.
What is the InChIKey of [(4Z)-6-triethylsilyloxycyclotridec-4-en-1-yl] acetate?
The InChIKey is OTYRUJSIIWQTCN-JXAWBTAJSA-N. The full InChI is InChI=1S/C21H40O3Si/c1-5-25(6-2,7-3)24-21-17-12-10-8-9-11-15-20(23-19(4)22)16-13-14-18-21/h14,18,20-21H,5-13,15-17H2,1-4H3/b18-14-.
What are the key properties of [(4Z)-6-triethylsilyloxycyclotridec-4-en-1-yl] acetate?
[(4Z)-6-triethylsilyloxycyclotridec-4-en-1-yl] acetate has a molecular weight of 368.63 g/mol, XLogP of 6.39, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4Z)-6-triethylsilyloxycyclotridec-4-en-1-yl] acetate is sourced from PubChem (CID 140589438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).