undec-2-enoyl undec-2-enoate

C22H38O3 — CID 54428963

IUPACundec-2-enoyl undec-2-enoate
SMILESCCCCCCCCC=CC(=O)OC(=O)C=CCCCCCCCC
InChIInChI=1S/C22H38O3/c1-3-5-7-9-11-13-15-17-19-21(23)25-22(24)20-18-16-14-12-10-8-6-4-2/h17-20H,3-16H2,1-2H3
InChIKeyWGDCVXJTDWDOER-UHFFFAOYSA-N
MW350.54 g/mol
LogP6.67
Rot. Bonds16

About undec-2-enoyl undec-2-enoate

undec-2-enoyl undec-2-enoate (PubChem CID 54428963) has the molecular formula C22H38O3 and a molecular weight of 350.54 g/mol. Its IUPAC name is undec-2-enoyl undec-2-enoate.

Molecular Properties

Compound Nameundec-2-enoyl undec-2-enoate
PubChem CID54428963
Molecular FormulaC22H38O3
Molecular Weight350.54 g/mol
Exact Mass350.28
IUPAC Nameundec-2-enoyl undec-2-enoate
SMILESCCCCCCCCC=CC(=O)OC(=O)C=CCCCCCCCC
InChIInChI=1S/C22H38O3/c1-3-5-7-9-11-13-15-17-19-21(23)25-22(24)20-18-16-14-12-10-8-6-4-2/h17-20H,3-16H2,1-2H3
InChIKeyWGDCVXJTDWDOER-UHFFFAOYSA-N
XLogP6.67
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.54
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', '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
icos-1-enyl docos-2-enoate
CID 54494040
octadec-1-enyl icos-2-enoate
CID 53437848
heptyl icos-2-enoate
CID 91580884
dodecyl octadec-2-enoate
CID 71338613
butyl icos-2-enoate
CID 91561454
tetratriacontyl icos-2-enoate
CID 175935411
tetradecyl tetradec-2-enoate
CID 71404583
di(undec-2-enoyloxy)alumanyl undec-2-enoate
CID 139974611
pentadecyl icos-2-enoate
CID 175935360
tert-butyl dec-2-enoate
CID 71411738

Frequently Asked Questions

What is the IUPAC name of undec-2-enoyl undec-2-enoate?
The IUPAC name of undec-2-enoyl undec-2-enoate (CID 54428963) is undec-2-enoyl undec-2-enoate.
What is the SMILES notation for undec-2-enoyl undec-2-enoate?
The canonical SMILES for undec-2-enoyl undec-2-enoate is CCCCCCCCC=CC(=O)OC(=O)C=CCCCCCCCC.
What is the InChIKey of undec-2-enoyl undec-2-enoate?
The InChIKey is WGDCVXJTDWDOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38O3/c1-3-5-7-9-11-13-15-17-19-21(23)25-22(24)20-18-16-14-12-10-8-6-4-2/h17-20H,3-16H2,1-2H3.
What are the key properties of undec-2-enoyl undec-2-enoate?
undec-2-enoyl undec-2-enoate has a molecular weight of 350.54 g/mol, XLogP of 6.67, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for undec-2-enoyl undec-2-enoate is sourced from PubChem (CID 54428963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).