ethyl (E)-10-hydroxyundec-2-enoate

C13H24O3 — CID 11572146

IUPACethyl (E)-10-hydroxyundec-2-enoate
SMILESCCOC(=O)/C=C/CCCCCCC(C)O
InChIInChI=1S/C13H24O3/c1-3-16-13(15)11-9-7-5-4-6-8-10-12(2)14/h9,11-12,14H,3-8,10H2,1-2H3/b11-9+
InChIKeyHANCFDMJEMJJJU-PKNBQFBNSA-N
MW228.33 g/mol
LogP2.83
Rot. Bonds9

About ethyl (E)-10-hydroxyundec-2-enoate

ethyl (E)-10-hydroxyundec-2-enoate (PubChem CID 11572146) has the molecular formula C13H24O3 and a molecular weight of 228.33 g/mol. Its IUPAC name is ethyl (E)-10-hydroxyundec-2-enoate.

Molecular Properties

Compound Nameethyl (E)-10-hydroxyundec-2-enoate
PubChem CID11572146
Molecular FormulaC13H24O3
Molecular Weight228.33 g/mol
Exact Mass228.17
IUPAC Nameethyl (E)-10-hydroxyundec-2-enoate
SMILESCCOC(=O)/C=C/CCCCCCC(C)O
InChIInChI=1S/C13H24O3/c1-3-16-13(15)11-9-7-5-4-6-8-10-12(2)14/h9,11-12,14H,3-8,10H2,1-2H3/b11-9+
InChIKeyHANCFDMJEMJJJU-PKNBQFBNSA-N
XLogP2.83
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl (E)-7-hydroxyoct-2-enoate
CID 5368922
ethyl 13-methyltetradec-2-enoate
CID 71332881
ethyl (E)-octadec-2-enoate
CID 10913939
ethyl tridec-2-enoate
CID 54010960
ethyl (2Z)-deca-2,9-dienoate
CID 141142906
ethyl 8-bromooct-2-enoate
CID 71343467
ethyl (E)-7-aminohept-2-enoate
CID 55267330
(E,10R)-10-hydroxyundec-2-enoic acid
CID 139031700
methyl (E)-7-hydroxyoct-2-enoate
CID 11062875
ethyl (16Z)-docosa-2,13,16-trienoate
CID 175935939
ethyl (E)-10,10,10-trifluorodec-2-enoate
CID 86672773
diethyl (2E,11E)-7-methylsulfonyloxytrideca-2,11-dienedioate
CID 134883452

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-10-hydroxyundec-2-enoate?
The IUPAC name of ethyl (E)-10-hydroxyundec-2-enoate (CID 11572146) is ethyl (E)-10-hydroxyundec-2-enoate.
What is the SMILES notation for ethyl (E)-10-hydroxyundec-2-enoate?
The canonical SMILES for ethyl (E)-10-hydroxyundec-2-enoate is CCOC(=O)/C=C/CCCCCCC(C)O.
What is the InChIKey of ethyl (E)-10-hydroxyundec-2-enoate?
The InChIKey is HANCFDMJEMJJJU-PKNBQFBNSA-N. The full InChI is InChI=1S/C13H24O3/c1-3-16-13(15)11-9-7-5-4-6-8-10-12(2)14/h9,11-12,14H,3-8,10H2,1-2H3/b11-9+.
What are the key properties of ethyl (E)-10-hydroxyundec-2-enoate?
ethyl (E)-10-hydroxyundec-2-enoate has a molecular weight of 228.33 g/mol, XLogP of 2.83, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-10-hydroxyundec-2-enoate is sourced from PubChem (CID 11572146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).