ethyl (2Z)-3-methyl-1,4,8,11-tetraoxacyclotetradec-2-ene-2-carboxylate

C14H24O6 — CID 135041430

IUPACethyl (2Z)-3-methyl-1,4,8,11-tetraoxacyclotetradec-2-ene-2-carboxylate
SMILESCCOC(=O)/C1=C(\C)OCCCOCCOCCCO1
InChIInChI=1S/C14H24O6/c1-3-18-14(15)13-12(2)19-8-4-6-16-10-11-17-7-5-9-20-13/h3-11H2,1-2H3/b13-12-
InChIKeyBDYPPKPSLVZYHH-SEYXRHQNSA-N
MW288.34 g/mol
LogP1.64
Rot. Bonds2

About ethyl (2Z)-3-methyl-1,4,8,11-tetraoxacyclotetradec-2-ene-2-carboxylate

ethyl (2Z)-3-methyl-1,4,8,11-tetraoxacyclotetradec-2-ene-2-carboxylate (PubChem CID 135041430) has the molecular formula C14H24O6 and a molecular weight of 288.34 g/mol. Its IUPAC name is ethyl (2Z)-3-methyl-1,4,8,11-tetraoxacyclotetradec-2-ene-2-carboxylate.

Molecular Properties

Compound Nameethyl (2Z)-3-methyl-1,4,8,11-tetraoxacyclotetradec-2-ene-2-carboxylate
PubChem CID135041430
Molecular FormulaC14H24O6
Molecular Weight288.34 g/mol
Exact Mass288.16
IUPAC Nameethyl (2Z)-3-methyl-1,4,8,11-tetraoxacyclotetradec-2-ene-2-carboxylate
SMILESCCOC(=O)/C1=C(\C)OCCCOCCOCCCO1
InChIInChI=1S/C14H24O6/c1-3-18-14(15)13-12(2)19-8-4-6-16-10-11-17-7-5-9-20-13/h3-11H2,1-2H3/b13-12-
InChIKeyBDYPPKPSLVZYHH-SEYXRHQNSA-N
XLogP1.64
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-3-methyl-1,4,8,11-tetraoxacyclotetradec-2-ene-2-carboxylate?
The IUPAC name of ethyl (2Z)-3-methyl-1,4,8,11-tetraoxacyclotetradec-2-ene-2-carboxylate (CID 135041430) is ethyl (2Z)-3-methyl-1,4,8,11-tetraoxacyclotetradec-2-ene-2-carboxylate.
What is the SMILES notation for ethyl (2Z)-3-methyl-1,4,8,11-tetraoxacyclotetradec-2-ene-2-carboxylate?
The canonical SMILES for ethyl (2Z)-3-methyl-1,4,8,11-tetraoxacyclotetradec-2-ene-2-carboxylate is CCOC(=O)/C1=C(\C)OCCCOCCOCCCO1.
What is the InChIKey of ethyl (2Z)-3-methyl-1,4,8,11-tetraoxacyclotetradec-2-ene-2-carboxylate?
The InChIKey is BDYPPKPSLVZYHH-SEYXRHQNSA-N. The full InChI is InChI=1S/C14H24O6/c1-3-18-14(15)13-12(2)19-8-4-6-16-10-11-17-7-5-9-20-13/h3-11H2,1-2H3/b13-12-.
What are the key properties of ethyl (2Z)-3-methyl-1,4,8,11-tetraoxacyclotetradec-2-ene-2-carboxylate?
ethyl (2Z)-3-methyl-1,4,8,11-tetraoxacyclotetradec-2-ene-2-carboxylate has a molecular weight of 288.34 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-3-methyl-1,4,8,11-tetraoxacyclotetradec-2-ene-2-carboxylate is sourced from PubChem (CID 135041430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).