2-methylidenebutanedioic acid;methyl 2-methylprop-2-enoate

C10H14O6 — CID 18995564

IUPAC2-methylidenebutanedioic acid;methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC.C=C(CC(=O)O)C(=O)O
InChIInChI=1S/C5H6O4.C5H8O2/c1-3(5(8)9)2-4(6)7;1-4(2)5(6)7-3/h1-2H2,(H,6,7)(H,8,9);1H2,2-3H3
InChIKeyYHWOGUNQXYDQRZ-UHFFFAOYSA-N
MW230.22 g/mol
LogP0.84
Rot. Bonds4

About 2-methylidenebutanedioic acid;methyl 2-methylprop-2-enoate

2-methylidenebutanedioic acid;methyl 2-methylprop-2-enoate (PubChem CID 18995564) has the molecular formula C10H14O6 and a molecular weight of 230.22 g/mol. Its IUPAC name is 2-methylidenebutanedioic acid;methyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-methylidenebutanedioic acid;methyl 2-methylprop-2-enoate
PubChem CID18995564
Molecular FormulaC10H14O6
Molecular Weight230.22 g/mol
Exact Mass230.08
IUPAC Name2-methylidenebutanedioic acid;methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC.C=C(CC(=O)O)C(=O)O
InChIInChI=1S/C5H6O4.C5H8O2/c1-3(5(8)9)2-4(6)7;1-4(2)5(6)7-3/h1-2H2,(H,6,7)(H,8,9);1H2,2-3H3
InChIKeyYHWOGUNQXYDQRZ-UHFFFAOYSA-N
XLogP0.84
TPSA100.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-methylidenebutanoic acid;N-methylmethanamine;methyl 2-methylprop-2-enoate
CID 175091133
3-methoxycarbonylbut-3-enoic acid
CID 4613903
methyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid;trihydrochloride
CID 172746567
methyl 2-methylprop-2-enoate;nickel
CID 88732958
2-methylidenebutanedioic acid;zirconium
CID 158245785
methane;bis(methyl 2-methylprop-2-enoate)
CID 159008219
methyl 2-methylprop-2-enoate;propan-2-one
CID 18939878
methyl 2-methylprop-2-enoate;phosphane
CID 158704529
methyl 2-methylprop-2-enoate;polane
CID 173074189
methane;2-methylidenebutanedioic acid
CID 158038738
benzene;methane;bis(methyl 2-methylprop-2-enoate)
CID 174531928
acetic acid;acetylene;methyl 2-methylprop-2-enoate
CID 88821199

Frequently Asked Questions

What is the IUPAC name of 2-methylidenebutanedioic acid;methyl 2-methylprop-2-enoate?
The IUPAC name of 2-methylidenebutanedioic acid;methyl 2-methylprop-2-enoate (CID 18995564) is 2-methylidenebutanedioic acid;methyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-methylidenebutanedioic acid;methyl 2-methylprop-2-enoate?
The canonical SMILES for 2-methylidenebutanedioic acid;methyl 2-methylprop-2-enoate is C=C(C)C(=O)OC.C=C(CC(=O)O)C(=O)O.
What is the InChIKey of 2-methylidenebutanedioic acid;methyl 2-methylprop-2-enoate?
The InChIKey is YHWOGUNQXYDQRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O4.C5H8O2/c1-3(5(8)9)2-4(6)7;1-4(2)5(6)7-3/h1-2H2,(H,6,7)(H,8,9);1H2,2-3H3.
What are the key properties of 2-methylidenebutanedioic acid;methyl 2-methylprop-2-enoate?
2-methylidenebutanedioic acid;methyl 2-methylprop-2-enoate has a molecular weight of 230.22 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidenebutanedioic acid;methyl 2-methylprop-2-enoate is sourced from PubChem (CID 18995564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).