ethyl cycloundecene-1-carboxylate

C14H24O2 — CID 154164177

IUPACethyl cycloundecene-1-carboxylate
SMILESCCOC(=O)C1=CCCCCCCCCC1
InChIInChI=1S/C14H24O2/c1-2-16-14(15)13-11-9-7-5-3-4-6-8-10-12-13/h11H,2-10,12H2,1H3
InChIKeyMEUUEIVDVOLWGY-UHFFFAOYSA-N
MW224.34 g/mol
LogP4.00
Rot. Bonds2

About ethyl cycloundecene-1-carboxylate

ethyl cycloundecene-1-carboxylate (PubChem CID 154164177) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is ethyl cycloundecene-1-carboxylate.

Molecular Properties

Compound Nameethyl cycloundecene-1-carboxylate
PubChem CID154164177
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Nameethyl cycloundecene-1-carboxylate
SMILESCCOC(=O)C1=CCCCCCCCCC1
InChIInChI=1S/C14H24O2/c1-2-16-14(15)13-11-9-7-5-3-4-6-8-10-12-13/h11H,2-10,12H2,1H3
InChIKeyMEUUEIVDVOLWGY-UHFFFAOYSA-N
XLogP4.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 102299212
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CID 91001163
methyl cyclododecene-1-carboxylate
CID 54564642
2,3-dihydroxypropyl cyclodecene-1-carboxylate
CID 175925690
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CID 106651939
cyclopropyl cycloheptene-1-carboxylate
CID 130634533
pentyl cyclopentene-1-carboxylate
CID 86197593
2,2-dimethylhexyl cyclohexene-1-carboxylate
CID 150127504
ethyl 5-oxocyclohexene-1-carboxylate
CID 101467436
ethyl (Z)-4-chloro-3-(cyclohexen-1-yl)-2-oxobut-3-enoate
CID 24854476
stibanyl cyclohexene-1-carboxylate
CID 174261272

Frequently Asked Questions

What is the IUPAC name of ethyl cycloundecene-1-carboxylate?
The IUPAC name of ethyl cycloundecene-1-carboxylate (CID 154164177) is ethyl cycloundecene-1-carboxylate.
What is the SMILES notation for ethyl cycloundecene-1-carboxylate?
The canonical SMILES for ethyl cycloundecene-1-carboxylate is CCOC(=O)C1=CCCCCCCCCC1.
What is the InChIKey of ethyl cycloundecene-1-carboxylate?
The InChIKey is MEUUEIVDVOLWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-2-16-14(15)13-11-9-7-5-3-4-6-8-10-12-13/h11H,2-10,12H2,1H3.
What are the key properties of ethyl cycloundecene-1-carboxylate?
ethyl cycloundecene-1-carboxylate has a molecular weight of 224.34 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl cycloundecene-1-carboxylate is sourced from PubChem (CID 154164177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).