ethyl (2Z)-deca-2,9-dienoate

C12H20O2 — CID 141142906

IUPACethyl (2Z)-deca-2,9-dienoate
SMILESC=CCCCCC/C=C\C(=O)OCC
InChIInChI=1S/C12H20O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h3,10-11H,1,4-9H2,2H3/b11-10-
InChIKeyCMGQEAWDIASMJV-KHPPLWFESA-N
MW196.29 g/mol
LogP3.24
Rot. Bonds8

About ethyl (2Z)-deca-2,9-dienoate

ethyl (2Z)-deca-2,9-dienoate (PubChem CID 141142906) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is ethyl (2Z)-deca-2,9-dienoate.

Molecular Properties

Compound Nameethyl (2Z)-deca-2,9-dienoate
PubChem CID141142906
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Nameethyl (2Z)-deca-2,9-dienoate
SMILESC=CCCCCC/C=C\C(=O)OCC
InChIInChI=1S/C12H20O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h3,10-11H,1,4-9H2,2H3/b11-10-
InChIKeyCMGQEAWDIASMJV-KHPPLWFESA-N
XLogP3.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl (E)-octadec-2-enoate
CID 10913939
ethyl tridec-2-enoate
CID 54010960
ethyl (2E,8E)-undeca-2,8,10-trienoate
CID 15013142
ethyl 8-bromooct-2-enoate
CID 71343467
ethyl (E)-7-aminohept-2-enoate
CID 55267330
methyl (2E)-octadeca-2,17-dienoate
CID 11781391
ethyl (16Z)-docosa-2,13,16-trienoate
CID 175935939
ethyl 13-methyltetradec-2-enoate
CID 71332881
prop-2-enyl oct-2-enoate
CID 3023736
ethyl (E)-10,10,10-trifluorodec-2-enoate
CID 86672773
ethyl (E)-10-hydroxyundec-2-enoate
CID 11572146
deca-1,9-diene;ethyl carbamate
CID 158614970

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-deca-2,9-dienoate?
The IUPAC name of ethyl (2Z)-deca-2,9-dienoate (CID 141142906) is ethyl (2Z)-deca-2,9-dienoate.
What is the SMILES notation for ethyl (2Z)-deca-2,9-dienoate?
The canonical SMILES for ethyl (2Z)-deca-2,9-dienoate is C=CCCCCC/C=C\C(=O)OCC.
What is the InChIKey of ethyl (2Z)-deca-2,9-dienoate?
The InChIKey is CMGQEAWDIASMJV-KHPPLWFESA-N. The full InChI is InChI=1S/C12H20O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h3,10-11H,1,4-9H2,2H3/b11-10-.
What are the key properties of ethyl (2Z)-deca-2,9-dienoate?
ethyl (2Z)-deca-2,9-dienoate has a molecular weight of 196.29 g/mol, XLogP of 3.24, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-deca-2,9-dienoate is sourced from PubChem (CID 141142906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).