dec-2-enyl dec-2-enoate

C20H36O2 — CID 74409769

IUPACdec-2-enyl dec-2-enoate
SMILESCCCCCCCC=CCOC(=O)C=CCCCCCCC
InChIInChI=1S/C20H36O2/c1-3-5-7-9-11-13-15-17-19-22-20(21)18-16-14-12-10-8-6-4-2/h15-18H,3-14,19H2,1-2H3
InChIKeyKLMIBJLTLGSDMC-UHFFFAOYSA-N
MW308.51 g/mol
LogP6.36
Rot. Bonds15

About dec-2-enyl dec-2-enoate

dec-2-enyl dec-2-enoate (PubChem CID 74409769) has the molecular formula C20H36O2 and a molecular weight of 308.51 g/mol. Its IUPAC name is dec-2-enyl dec-2-enoate.

Molecular Properties

Compound Namedec-2-enyl dec-2-enoate
PubChem CID74409769
Molecular FormulaC20H36O2
Molecular Weight308.51 g/mol
Exact Mass308.27
IUPAC Namedec-2-enyl dec-2-enoate
SMILESCCCCCCCC=CCOC(=O)C=CCCCCCCC
InChIInChI=1S/C20H36O2/c1-3-5-7-9-11-13-15-17-19-22-20(21)18-16-14-12-10-8-6-4-2/h15-18H,3-14,19H2,1-2H3
InChIKeyKLMIBJLTLGSDMC-UHFFFAOYSA-N
XLogP6.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.51
LogP ≤ 56.36
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

bis[(E)-undec-2-enyl] (E)-but-2-enedioate
CID 91701287
1-O-ethyl 4-O-[(E)-undec-2-enyl] (E)-but-2-enedioate
CID 91713017
prop-2-enyl oct-2-enoate
CID 3023736
ethyl tridec-2-enoate
CID 54010960
ethyl (E)-octadec-2-enoate
CID 10913939
tetratriacontyl icos-2-enoate
CID 175935411
heptyl icos-2-enoate
CID 91580884
butyl icos-2-enoate
CID 91561454
dodecyl octadec-2-enoate
CID 71338613
tetradecyl tetradec-2-enoate
CID 71404583
pentadecyl icos-2-enoate
CID 175935360
ethyl (16Z)-docosa-2,13,16-trienoate
CID 175935939

Frequently Asked Questions

What is the IUPAC name of dec-2-enyl dec-2-enoate?
The IUPAC name of dec-2-enyl dec-2-enoate (CID 74409769) is dec-2-enyl dec-2-enoate.
What is the SMILES notation for dec-2-enyl dec-2-enoate?
The canonical SMILES for dec-2-enyl dec-2-enoate is CCCCCCCC=CCOC(=O)C=CCCCCCCC.
What is the InChIKey of dec-2-enyl dec-2-enoate?
The InChIKey is KLMIBJLTLGSDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36O2/c1-3-5-7-9-11-13-15-17-19-22-20(21)18-16-14-12-10-8-6-4-2/h15-18H,3-14,19H2,1-2H3.
What are the key properties of dec-2-enyl dec-2-enoate?
dec-2-enyl dec-2-enoate has a molecular weight of 308.51 g/mol, XLogP of 6.36, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dec-2-enyl dec-2-enoate is sourced from PubChem (CID 74409769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).