(E)-2-[2-(2-hydroxyethoxy)-2-oxoethyl]dec-6-enoic acid

C14H24O5 — CID 101278440

IUPAC(E)-2-[2-(2-hydroxyethoxy)-2-oxoethyl]dec-6-enoic acid
SMILESCCC/C=C/CCCC(CC(=O)OCCO)C(=O)O
InChIInChI=1S/C14H24O5/c1-2-3-4-5-6-7-8-12(14(17)18)11-13(16)19-10-9-15/h4-5,12,15H,2-3,6-11H2,1H3,(H,17,18)/b5-4+
InChIKeyZOXCXEHUOGDMPA-SNAWJCMRSA-N
MW272.34 g/mol
LogP2.14
Rot. Bonds11

About (E)-2-[2-(2-hydroxyethoxy)-2-oxoethyl]dec-6-enoic acid

(E)-2-[2-(2-hydroxyethoxy)-2-oxoethyl]dec-6-enoic acid (PubChem CID 101278440) has the molecular formula C14H24O5 and a molecular weight of 272.34 g/mol. Its IUPAC name is (E)-2-[2-(2-hydroxyethoxy)-2-oxoethyl]dec-6-enoic acid.

Molecular Properties

Compound Name(E)-2-[2-(2-hydroxyethoxy)-2-oxoethyl]dec-6-enoic acid
PubChem CID101278440
Molecular FormulaC14H24O5
Molecular Weight272.34 g/mol
Exact Mass272.16
IUPAC Name(E)-2-[2-(2-hydroxyethoxy)-2-oxoethyl]dec-6-enoic acid
SMILESCCC/C=C/CCCC(CC(=O)OCCO)C(=O)O
InChIInChI=1S/C14H24O5/c1-2-3-4-5-6-7-8-12(14(17)18)11-13(16)19-10-9-15/h4-5,12,15H,2-3,6-11H2,1H3,(H,17,18)/b5-4+
InChIKeyZOXCXEHUOGDMPA-SNAWJCMRSA-N
XLogP2.14
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

ditridecyl 2-[(E)-icos-4-enyl]butanedioate
CID 101276983
(E)-2-(2-butoxy-2-oxoethyl)dec-4-enoic acid
CID 87830763
2-(2-decoxy-2-oxoethyl)octanoic acid
CID 174388453
(E)-2-[2-(2,3-dihydroxypropoxy)-2-oxoethyl]dec-5-enoic acid
CID 101278522
[(Z)-oct-4-enyl] 3-methylbutanoate
CID 5352818
ditridecyl 2-[(E)-icos-12-enyl]butanedioate
CID 101276991
ditridecyl 2-[(E)-henicos-9-enyl]butanedioate
CID 101277027
didodecyl 2-[(E)-icos-9-enyl]butanedioate
CID 101276969
didodecyl 2-[(E)-henicos-14-enyl]butanedioate
CID 101277012
ditridecyl 2-[(E)-henicos-15-enyl]butanedioate
CID 101277033
[(Z)-octadec-9-enyl] (Z)-docos-13-enoate;(Z)-2-[(Z)-octadec-9-enyl]docos-13-enoic acid
CID 175741652
(E)-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(E)-3-carboxyhenicos-5-enoyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-oxoethyl]icos-4-enoic acid
CID 118316992

Frequently Asked Questions

What is the IUPAC name of (E)-2-[2-(2-hydroxyethoxy)-2-oxoethyl]dec-6-enoic acid?
The IUPAC name of (E)-2-[2-(2-hydroxyethoxy)-2-oxoethyl]dec-6-enoic acid (CID 101278440) is (E)-2-[2-(2-hydroxyethoxy)-2-oxoethyl]dec-6-enoic acid.
What is the SMILES notation for (E)-2-[2-(2-hydroxyethoxy)-2-oxoethyl]dec-6-enoic acid?
The canonical SMILES for (E)-2-[2-(2-hydroxyethoxy)-2-oxoethyl]dec-6-enoic acid is CCC/C=C/CCCC(CC(=O)OCCO)C(=O)O.
What is the InChIKey of (E)-2-[2-(2-hydroxyethoxy)-2-oxoethyl]dec-6-enoic acid?
The InChIKey is ZOXCXEHUOGDMPA-SNAWJCMRSA-N. The full InChI is InChI=1S/C14H24O5/c1-2-3-4-5-6-7-8-12(14(17)18)11-13(16)19-10-9-15/h4-5,12,15H,2-3,6-11H2,1H3,(H,17,18)/b5-4+.
What are the key properties of (E)-2-[2-(2-hydroxyethoxy)-2-oxoethyl]dec-6-enoic acid?
(E)-2-[2-(2-hydroxyethoxy)-2-oxoethyl]dec-6-enoic acid has a molecular weight of 272.34 g/mol, XLogP of 2.14, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[2-(2-hydroxyethoxy)-2-oxoethyl]dec-6-enoic acid is sourced from PubChem (CID 101278440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).