ethyl (Z)-undec-2-enoate

C13H24O2 — CID 10727281

IUPACethyl (Z)-undec-2-enoate
SMILESCCCCCCCC/C=C\C(=O)OCC
InChIInChI=1S/C13H24O2/c1-3-5-6-7-8-9-10-11-12-13(14)15-4-2/h11-12H,3-10H2,1-2H3/b12-11-
InChIKeyPERJJPDPIXBRBO-QXMHVHEDSA-N
MW212.33 g/mol
LogP3.86
Rot. Bonds9

About ethyl (Z)-undec-2-enoate

ethyl (Z)-undec-2-enoate (PubChem CID 10727281) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is ethyl (Z)-undec-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-undec-2-enoate
PubChem CID10727281
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Nameethyl (Z)-undec-2-enoate
SMILESCCCCCCCC/C=C\C(=O)OCC
InChIInChI=1S/C13H24O2/c1-3-5-6-7-8-9-10-11-12-13(14)15-4-2/h11-12H,3-10H2,1-2H3/b12-11-
InChIKeyPERJJPDPIXBRBO-QXMHVHEDSA-N
XLogP3.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Ethyl 2,4-decadienoate, (2E,4Z)-
CID 5281162
Geranyl tiglate
CID 5367785
Ethyl (E)-2-heptenoate
CID 5358363
Ethyl trans-2-hexenoate
CID 5364778
Ethyl 2-decenoate, (2E)-
CID 5463904
3-Hexenyl-2-butenoate, (2E,3Z)-
CID 16220110
Methyl 2-nonenoate
CID 5368076
Massoia Lactone
CID 642793
Methyl oct-2-enoate
CID 5364532
5-HYDROXY-2-DODECENOIC ACID delta-LACTONE
CID 61834
2-Heptenyl acetate, (2E)-
CID 5363203
3-Hexenyl 2-hexenoate, (3Z,2E)-
CID 5367679

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-undec-2-enoate?
The IUPAC name of ethyl (Z)-undec-2-enoate (CID 10727281) is ethyl (Z)-undec-2-enoate.
What is the SMILES notation for ethyl (Z)-undec-2-enoate?
The canonical SMILES for ethyl (Z)-undec-2-enoate is CCCCCCCC/C=C\C(=O)OCC.
What is the InChIKey of ethyl (Z)-undec-2-enoate?
The InChIKey is PERJJPDPIXBRBO-QXMHVHEDSA-N. The full InChI is InChI=1S/C13H24O2/c1-3-5-6-7-8-9-10-11-12-13(14)15-4-2/h11-12H,3-10H2,1-2H3/b12-11-.
What are the key properties of ethyl (Z)-undec-2-enoate?
ethyl (Z)-undec-2-enoate has a molecular weight of 212.33 g/mol, XLogP of 3.86, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-undec-2-enoate is sourced from PubChem (CID 10727281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).