2-hydroxyethyl (Z)-undec-9-enoate

C13H24O3 — CID 89085780

IUPAC2-hydroxyethyl (Z)-undec-9-enoate
SMILESC/C=C\CCCCCCCC(=O)OCCO
InChIInChI=1S/C13H24O3/c1-2-3-4-5-6-7-8-9-10-13(15)16-12-11-14/h2-3,14H,4-12H2,1H3/b3-2-
InChIKeyQRSPJDWTQHJVAM-IHWYPQMZSA-N
MW228.33 g/mol
LogP2.83
Rot. Bonds10

About 2-hydroxyethyl (Z)-undec-9-enoate

2-hydroxyethyl (Z)-undec-9-enoate (PubChem CID 89085780) has the molecular formula C13H24O3 and a molecular weight of 228.33 g/mol. Its IUPAC name is 2-hydroxyethyl (Z)-undec-9-enoate.

Molecular Properties

Compound Name2-hydroxyethyl (Z)-undec-9-enoate
PubChem CID89085780
Molecular FormulaC13H24O3
Molecular Weight228.33 g/mol
Exact Mass228.17
IUPAC Name2-hydroxyethyl (Z)-undec-9-enoate
SMILESC/C=C\CCCCCCCC(=O)OCCO
InChIInChI=1S/C13H24O3/c1-2-3-4-5-6-7-8-9-10-13(15)16-12-11-14/h2-3,14H,4-12H2,1H3/b3-2-
InChIKeyQRSPJDWTQHJVAM-IHWYPQMZSA-N
XLogP2.83
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

[(E)-pent-3-enyl] (E)-undec-9-enoate
CID 155355570
hex-4-enyl (E)-non-7-enoate
CID 155355569
pent-3-enyl (E)-dodec-10-enoate
CID 155355573
butyl (E)-pentadec-13-enoate
CID 88959332
butyl (E)-dodec-10-enoate
CID 88959354
ethene;2-hydroxyethyl (Z)-octadec-9-enoate
CID 173424780
[(E)-hept-5-enyl] heptacosanoate
CID 102118801
bis(2-hydroxyethyl) heptanedioate
CID 58519890
bis(2-hydroxyethyl) decanedioate
CID 14094566
2-hydroxyethyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
CID 87552666
2-hydroxyethyl 12-oxododec-6-enoate
CID 57104465
[(Z)-non-7-enyl] (E)-6-methyloct-6-enoate
CID 163319800

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl (Z)-undec-9-enoate?
The IUPAC name of 2-hydroxyethyl (Z)-undec-9-enoate (CID 89085780) is 2-hydroxyethyl (Z)-undec-9-enoate.
What is the SMILES notation for 2-hydroxyethyl (Z)-undec-9-enoate?
The canonical SMILES for 2-hydroxyethyl (Z)-undec-9-enoate is C/C=C\CCCCCCCC(=O)OCCO.
What is the InChIKey of 2-hydroxyethyl (Z)-undec-9-enoate?
The InChIKey is QRSPJDWTQHJVAM-IHWYPQMZSA-N. The full InChI is InChI=1S/C13H24O3/c1-2-3-4-5-6-7-8-9-10-13(15)16-12-11-14/h2-3,14H,4-12H2,1H3/b3-2-.
What are the key properties of 2-hydroxyethyl (Z)-undec-9-enoate?
2-hydroxyethyl (Z)-undec-9-enoate has a molecular weight of 228.33 g/mol, XLogP of 2.83, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl (Z)-undec-9-enoate is sourced from PubChem (CID 89085780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).