2,2-bis(2-methylprop-2-enoxy)acetic acid

C10H16O4 — CID 139999943

IUPAC2,2-bis(2-methylprop-2-enoxy)acetic acid
SMILESC=C(C)COC(OCC(=C)C)C(=O)O
InChIInChI=1S/C10H16O4/c1-7(2)5-13-10(9(11)12)14-6-8(3)4/h10H,1,3,5-6H2,2,4H3,(H,11,12)
InChIKeyUHXKXAACTAMNMG-UHFFFAOYSA-N
MW200.23 g/mol
LogP1.58
Rot. Bonds7

About 2,2-bis(2-methylprop-2-enoxy)acetic acid

2,2-bis(2-methylprop-2-enoxy)acetic acid (PubChem CID 139999943) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is 2,2-bis(2-methylprop-2-enoxy)acetic acid.

Molecular Properties

Compound Name2,2-bis(2-methylprop-2-enoxy)acetic acid
PubChem CID139999943
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name2,2-bis(2-methylprop-2-enoxy)acetic acid
SMILESC=C(C)COC(OCC(=C)C)C(=O)O
InChIInChI=1S/C10H16O4/c1-7(2)5-13-10(9(11)12)14-6-8(3)4/h10H,1,3,5-6H2,2,4H3,(H,11,12)
InChIKeyUHXKXAACTAMNMG-UHFFFAOYSA-N
XLogP1.58
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(2-methylprop-2-enoxy)ethyl carbonochloridate
CID 88640384
2-methyl-3-(2-methylprop-2-enoxy)-3-oxopropanoic acid
CID 88515591
3-(2-methylprop-2-enoxy)hexan-2-one
CID 143554575
3-(2-methylprop-2-enoxy)pentane
CID 123638560
2,2-bis(2-methylprop-2-enoyloxy)acetic acid
CID 56621773
N,N-dimethyl-1,1-bis(2-methylprop-2-enoxy)methanamine
CID 71583350
lithium;2,2-diethoxyacetic acid;2-methylpropane
CID 158199649
ethane;3-(2-methylprop-2-enoxy)hexan-2-one;hydrate
CID 143554574
tert-butyl 2-(2-methylprop-2-enoxy)propanoate
CID 166848387
propan-2-yl 2-(2-methylprop-2-enoxy)acetate
CID 15892945
1-(2-methylprop-2-enoxy)prop-2-en-1-ol
CID 56607724
2-[10-(2-methylprop-2-enoxy)decyl]propanedioic acid
CID 87259475

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(2-methylprop-2-enoxy)acetic acid?
The IUPAC name of 2,2-bis(2-methylprop-2-enoxy)acetic acid (CID 139999943) is 2,2-bis(2-methylprop-2-enoxy)acetic acid.
What is the SMILES notation for 2,2-bis(2-methylprop-2-enoxy)acetic acid?
The canonical SMILES for 2,2-bis(2-methylprop-2-enoxy)acetic acid is C=C(C)COC(OCC(=C)C)C(=O)O.
What is the InChIKey of 2,2-bis(2-methylprop-2-enoxy)acetic acid?
The InChIKey is UHXKXAACTAMNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c1-7(2)5-13-10(9(11)12)14-6-8(3)4/h10H,1,3,5-6H2,2,4H3,(H,11,12).
What are the key properties of 2,2-bis(2-methylprop-2-enoxy)acetic acid?
2,2-bis(2-methylprop-2-enoxy)acetic acid has a molecular weight of 200.23 g/mol, XLogP of 1.58, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(2-methylprop-2-enoxy)acetic acid is sourced from PubChem (CID 139999943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).