ethyl (E)-7-hydroxyoct-2-enoate

C10H18O3 — CID 5368922

IUPACethyl (E)-7-hydroxyoct-2-enoate
SMILESCCOC(=O)/C=C/CCCC(C)O
InChIInChI=1S/C10H18O3/c1-3-13-10(12)8-6-4-5-7-9(2)11/h6,8-9,11H,3-5,7H2,1-2H3/b8-6+
InChIKeyIMWMUIJDODQYOR-SOFGYWHQSA-N
MW186.25 g/mol
LogP1.66
Rot. Bonds6

About ethyl (E)-7-hydroxyoct-2-enoate

ethyl (E)-7-hydroxyoct-2-enoate (PubChem CID 5368922) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is ethyl (E)-7-hydroxyoct-2-enoate.

Molecular Properties

Compound Nameethyl (E)-7-hydroxyoct-2-enoate
PubChem CID5368922
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Nameethyl (E)-7-hydroxyoct-2-enoate
SMILESCCOC(=O)/C=C/CCCC(C)O
InChIInChI=1S/C10H18O3/c1-3-13-10(12)8-6-4-5-7-9(2)11/h6,8-9,11H,3-5,7H2,1-2H3/b8-6+
InChIKeyIMWMUIJDODQYOR-SOFGYWHQSA-N
XLogP1.66
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.66
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)-10-hydroxyundec-2-enoate
CID 11572146
methyl (E)-7-hydroxyoct-2-enoate
CID 11062875
ethyl 13-methyltetradec-2-enoate
CID 71332881
diethyl (2E,11E)-7-methylsulfonyloxytrideca-2,11-dienedioate
CID 134883452
ethyl (E)-7-aminohept-2-enoate
CID 55267330
ethyl tridec-2-enoate
CID 54010960
ethyl (E)-octadec-2-enoate
CID 10913939
ethyl (2Z)-deca-2,9-dienoate
CID 141142906
ethyl 8-bromooct-2-enoate
CID 71343467
ethyl (E)-5-hydroxypent-2-enoate
CID 13062577
methyl (2E,5E)-10-hydroxyundeca-2,5-dienoate
CID 23272486
ethyl (2E,7E)-11-cyanoundeca-2,7-dienoate
CID 11053621

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-7-hydroxyoct-2-enoate?
The IUPAC name of ethyl (E)-7-hydroxyoct-2-enoate (CID 5368922) is ethyl (E)-7-hydroxyoct-2-enoate.
What is the SMILES notation for ethyl (E)-7-hydroxyoct-2-enoate?
The canonical SMILES for ethyl (E)-7-hydroxyoct-2-enoate is CCOC(=O)/C=C/CCCC(C)O.
What is the InChIKey of ethyl (E)-7-hydroxyoct-2-enoate?
The InChIKey is IMWMUIJDODQYOR-SOFGYWHQSA-N. The full InChI is InChI=1S/C10H18O3/c1-3-13-10(12)8-6-4-5-7-9(2)11/h6,8-9,11H,3-5,7H2,1-2H3/b8-6+.
What are the key properties of ethyl (E)-7-hydroxyoct-2-enoate?
ethyl (E)-7-hydroxyoct-2-enoate has a molecular weight of 186.25 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-7-hydroxyoct-2-enoate is sourced from PubChem (CID 5368922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).