ethyl (6Z)-1-oxacyclopentadec-6-ene-7-carboxylate

C17H30O3 — CID 102299212

IUPACethyl (6Z)-1-oxacyclopentadec-6-ene-7-carboxylate
SMILESCCOC(=O)/C1=C\CCCCOCCCCCCCC1
InChIInChI=1S/C17H30O3/c1-2-20-17(18)16-12-8-5-3-4-6-10-14-19-15-11-7-9-13-16/h13H,2-12,14-15H2,1H3/b16-13-
InChIKeyUIQDQGGDCCODPY-SSZFMOIBSA-N
MW282.42 g/mol
LogP4.41
Rot. Bonds2

About ethyl (6Z)-1-oxacyclopentadec-6-ene-7-carboxylate

ethyl (6Z)-1-oxacyclopentadec-6-ene-7-carboxylate (PubChem CID 102299212) has the molecular formula C17H30O3 and a molecular weight of 282.42 g/mol. Its IUPAC name is ethyl (6Z)-1-oxacyclopentadec-6-ene-7-carboxylate.

Molecular Properties

Compound Nameethyl (6Z)-1-oxacyclopentadec-6-ene-7-carboxylate
PubChem CID102299212
Molecular FormulaC17H30O3
Molecular Weight282.42 g/mol
Exact Mass282.22
IUPAC Nameethyl (6Z)-1-oxacyclopentadec-6-ene-7-carboxylate
SMILESCCOC(=O)/C1=C\CCCCOCCCCCCCC1
InChIInChI=1S/C17H30O3/c1-2-20-17(18)16-12-8-5-3-4-6-10-14-19-15-11-7-9-13-16/h13H,2-12,14-15H2,1H3/b16-13-
InChIKeyUIQDQGGDCCODPY-SSZFMOIBSA-N
XLogP4.41
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.42
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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hydroxymethyl cyclohexene-1-carboxylate
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CID 101467436
2,3-dihydroxypropyl cyclodecene-1-carboxylate
CID 175925690
methyl cyclododecene-1-carboxylate
CID 54564642
pentyl cyclopentene-1-carboxylate
CID 86197593
1-(cycloocten-1-yl)-2-ethoxyethanone
CID 106651939
cycloocten-1-yl-(4-methoxyoxan-4-yl)methanone
CID 106652262
cyclopropyl cycloheptene-1-carboxylate
CID 130634533
2,2-dimethylhexyl cyclohexene-1-carboxylate
CID 150127504

Frequently Asked Questions

What is the IUPAC name of ethyl (6Z)-1-oxacyclopentadec-6-ene-7-carboxylate?
The IUPAC name of ethyl (6Z)-1-oxacyclopentadec-6-ene-7-carboxylate (CID 102299212) is ethyl (6Z)-1-oxacyclopentadec-6-ene-7-carboxylate.
What is the SMILES notation for ethyl (6Z)-1-oxacyclopentadec-6-ene-7-carboxylate?
The canonical SMILES for ethyl (6Z)-1-oxacyclopentadec-6-ene-7-carboxylate is CCOC(=O)/C1=C\CCCCOCCCCCCCC1.
What is the InChIKey of ethyl (6Z)-1-oxacyclopentadec-6-ene-7-carboxylate?
The InChIKey is UIQDQGGDCCODPY-SSZFMOIBSA-N. The full InChI is InChI=1S/C17H30O3/c1-2-20-17(18)16-12-8-5-3-4-6-10-14-19-15-11-7-9-13-16/h13H,2-12,14-15H2,1H3/b16-13-.
What are the key properties of ethyl (6Z)-1-oxacyclopentadec-6-ene-7-carboxylate?
ethyl (6Z)-1-oxacyclopentadec-6-ene-7-carboxylate has a molecular weight of 282.42 g/mol, XLogP of 4.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (6Z)-1-oxacyclopentadec-6-ene-7-carboxylate is sourced from PubChem (CID 102299212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).