undec-10-enoate

C11H19O2- — CID 14891

IUPACundec-10-enoate
SMILESC=CCCCCCCCCC(=O)[O-]
InChIInChI=1S/C11H20O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2H,1,3-10H2,(H,12,13)/p-1
InChIKeyFRPZMMHWLSIFAZ-UHFFFAOYSA-M
MW183.27 g/mol
LogP2.04
Rot. Bonds9

About undec-10-enoate

undec-10-enoate (PubChem CID 14891) has the molecular formula C11H19O2- and a molecular weight of 183.27 g/mol. Its IUPAC name is undec-10-enoate.

Molecular Properties

Compound Nameundec-10-enoate
PubChem CID14891
Molecular FormulaC11H19O2-
Molecular Weight183.27 g/mol
Exact Mass183.14
IUPAC Nameundec-10-enoate
SMILESC=CCCCCCCCCC(=O)[O-]
InChIInChI=1S/C11H20O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2H,1,3-10H2,(H,12,13)/p-1
InChIKeyFRPZMMHWLSIFAZ-UHFFFAOYSA-M
XLogP2.04
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.27
LogP ≤ 52.04
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'}

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Related Compounds

Undecylenic Acid
CID 5634
Potassium Oleate
CID 23665571
Sodium Oleate
CID 23665730
Myristoleic Acid
CID 5281119
Oleic acid, ion(1-)
CID 5460221
Ethyl 10-undecenoate
CID 12729
Butyl 10-undecenoate
CID 61027
Allyl 10-undecenoate
CID 61412
Zinc Undecylenate
CID 11179
Ethyl 9-decenoate
CID 522255
Potassium Linoleate
CID 23684895
Sodium Linoleate
CID 23676150

Frequently Asked Questions

What is the IUPAC name of undec-10-enoate?
The IUPAC name of undec-10-enoate (CID 14891) is undec-10-enoate.
What is the SMILES notation for undec-10-enoate?
The canonical SMILES for undec-10-enoate is C=CCCCCCCCCC(=O)[O-].
What is the InChIKey of undec-10-enoate?
The InChIKey is FRPZMMHWLSIFAZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H20O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2H,1,3-10H2,(H,12,13)/p-1.
What are the key properties of undec-10-enoate?
undec-10-enoate has a molecular weight of 183.27 g/mol, XLogP of 2.04, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for undec-10-enoate is sourced from PubChem (CID 14891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).