2-[2-(1-ethenoxyprop-1-en-2-yloxy)propoxy]-2-oxoacetic acid

C10H14O6 — CID 139924880

IUPAC2-[2-(1-ethenoxyprop-1-en-2-yloxy)propoxy]-2-oxoacetic acid
SMILESC=COC=C(C)OC(C)COC(=O)C(=O)O
InChIInChI=1S/C10H14O6/c1-4-14-5-7(2)16-8(3)6-15-10(13)9(11)12/h4-5,8H,1,6H2,2-3H3,(H,11,12)
InChIKeyTZYGLRSWQOLAQQ-UHFFFAOYSA-N
MW230.22 g/mol
LogP1.04
Rot. Bonds6

About 2-[2-(1-ethenoxyprop-1-en-2-yloxy)propoxy]-2-oxoacetic acid

2-[2-(1-ethenoxyprop-1-en-2-yloxy)propoxy]-2-oxoacetic acid (PubChem CID 139924880) has the molecular formula C10H14O6 and a molecular weight of 230.22 g/mol. Its IUPAC name is 2-[2-(1-ethenoxyprop-1-en-2-yloxy)propoxy]-2-oxoacetic acid.

Molecular Properties

Compound Name2-[2-(1-ethenoxyprop-1-en-2-yloxy)propoxy]-2-oxoacetic acid
PubChem CID139924880
Molecular FormulaC10H14O6
Molecular Weight230.22 g/mol
Exact Mass230.08
IUPAC Name2-[2-(1-ethenoxyprop-1-en-2-yloxy)propoxy]-2-oxoacetic acid
SMILESC=COC=C(C)OC(C)COC(=O)C(=O)O
InChIInChI=1S/C10H14O6/c1-4-14-5-7(2)16-8(3)6-15-10(13)9(11)12/h4-5,8H,1,6H2,2-3H3,(H,11,12)
InChIKeyTZYGLRSWQOLAQQ-UHFFFAOYSA-N
XLogP1.04
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-(1-ethenoxyprop-1-en-2-yloxy)propyl 2-oxopropanoate
CID 139924913
(Z)-4-[2-(1-ethenoxyprop-1-en-2-yloxy)propoxy]-4-oxobut-2-enoic acid
CID 139924844
2-[2-[2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propyl 2-methylprop-2-enoate
CID 18762108
bis(ethane-1,2-diol);ethene;2-(2-methylprop-2-enoyloxy)propyl 2-methylprop-2-enoate
CID 173326702
1-acetyloxypropan-2-yl prop-2-enoate
CID 87413306
2-[[(Z)-but-2-en-2-yl]carbamoyloxy]propyl 2-methylprop-2-enoate
CID 142512774
oxiran-2-ylmethanol;2-prop-2-enoyloxypropyl 2-methylprop-2-enoate
CID 174491978
2-hydroxypropyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid
CID 87196210
methane;2-prop-2-enoyloxypropyl prop-2-enoate
CID 161351901
6-[2-(2-methylprop-2-enoyloxy)propoxy]-6-oxohexanoic acid
CID 87076914
2-(hexylcarbamoyloxy)propyl 2-methylprop-2-enoate
CID 122555611
1-[(E)-4-formyl-6-oxohex-2-en-2-yl]oxypropan-2-yl 2-methylprop-2-enoate
CID 58882710

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-ethenoxyprop-1-en-2-yloxy)propoxy]-2-oxoacetic acid?
The IUPAC name of 2-[2-(1-ethenoxyprop-1-en-2-yloxy)propoxy]-2-oxoacetic acid (CID 139924880) is 2-[2-(1-ethenoxyprop-1-en-2-yloxy)propoxy]-2-oxoacetic acid.
What is the SMILES notation for 2-[2-(1-ethenoxyprop-1-en-2-yloxy)propoxy]-2-oxoacetic acid?
The canonical SMILES for 2-[2-(1-ethenoxyprop-1-en-2-yloxy)propoxy]-2-oxoacetic acid is C=COC=C(C)OC(C)COC(=O)C(=O)O.
What is the InChIKey of 2-[2-(1-ethenoxyprop-1-en-2-yloxy)propoxy]-2-oxoacetic acid?
The InChIKey is TZYGLRSWQOLAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O6/c1-4-14-5-7(2)16-8(3)6-15-10(13)9(11)12/h4-5,8H,1,6H2,2-3H3,(H,11,12).
What are the key properties of 2-[2-(1-ethenoxyprop-1-en-2-yloxy)propoxy]-2-oxoacetic acid?
2-[2-(1-ethenoxyprop-1-en-2-yloxy)propoxy]-2-oxoacetic acid has a molecular weight of 230.22 g/mol, XLogP of 1.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-ethenoxyprop-1-en-2-yloxy)propoxy]-2-oxoacetic acid is sourced from PubChem (CID 139924880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).