2-methylidenehexanedioic acid;2-methylidenepentanedioic acid

C13H18O8 — CID 87602044

IUPAC2-methylidenehexanedioic acid;2-methylidenepentanedioic acid
SMILESC=C(CCC(=O)O)C(=O)O.C=C(CCCC(=O)O)C(=O)O
InChIInChI=1S/C7H10O4.C6H8O4/c1-5(7(10)11)3-2-4-6(8)9;1-4(6(9)10)2-3-5(7)8/h1-4H2,(H,8,9)(H,10,11);1-3H2,(H,7,8)(H,9,10)
InChIKeyMRTIQTHUULXDHH-UHFFFAOYSA-N
MW302.28 g/mol
LogP1.37
Rot. Bonds9

About 2-methylidenehexanedioic acid;2-methylidenepentanedioic acid

2-methylidenehexanedioic acid;2-methylidenepentanedioic acid (PubChem CID 87602044) has the molecular formula C13H18O8 and a molecular weight of 302.28 g/mol. Its IUPAC name is 2-methylidenehexanedioic acid;2-methylidenepentanedioic acid.

Molecular Properties

Compound Name2-methylidenehexanedioic acid;2-methylidenepentanedioic acid
PubChem CID87602044
Molecular FormulaC13H18O8
Molecular Weight302.28 g/mol
Exact Mass302.10
IUPAC Name2-methylidenehexanedioic acid;2-methylidenepentanedioic acid
SMILESC=C(CCC(=O)O)C(=O)O.C=C(CCCC(=O)O)C(=O)O
InChIInChI=1S/C7H10O4.C6H8O4/c1-5(7(10)11)3-2-4-6(8)9;1-4(6(9)10)2-3-5(7)8/h1-4H2,(H,8,9)(H,10,11);1-3H2,(H,7,8)(H,9,10)
InChIKeyMRTIQTHUULXDHH-UHFFFAOYSA-N
XLogP1.37
TPSA149.20 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 51.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methylidenepentanedioic acid
CID 88647821
2,11-dimethylidenedodecanedioic acid
CID 20542368
5-hydroxy-2-methylidenehex-5-enoic acid
CID 87089770
2-methylidene-6-oxohexanoic acid
CID 87328269
5-chloro-2-methylidenepentanoic acid
CID 10953677
2-methylidenehexanoic acid;zinc
CID 174824467
azane;bis(pentanedioic acid)
CID 138524332
CID 87067075
CID 87067075
pentanedioic acid;stibane
CID 173344083
erbium;pentanedioic acid
CID 87931794
furan-2,5-dione;2-methylidenepentanedioic acid
CID 160970386
ethane;2-methylidenehexanoic acid
CID 162072915

Frequently Asked Questions

What is the IUPAC name of 2-methylidenehexanedioic acid;2-methylidenepentanedioic acid?
The IUPAC name of 2-methylidenehexanedioic acid;2-methylidenepentanedioic acid (CID 87602044) is 2-methylidenehexanedioic acid;2-methylidenepentanedioic acid.
What is the SMILES notation for 2-methylidenehexanedioic acid;2-methylidenepentanedioic acid?
The canonical SMILES for 2-methylidenehexanedioic acid;2-methylidenepentanedioic acid is C=C(CCC(=O)O)C(=O)O.C=C(CCCC(=O)O)C(=O)O.
What is the InChIKey of 2-methylidenehexanedioic acid;2-methylidenepentanedioic acid?
The InChIKey is MRTIQTHUULXDHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O4.C6H8O4/c1-5(7(10)11)3-2-4-6(8)9;1-4(6(9)10)2-3-5(7)8/h1-4H2,(H,8,9)(H,10,11);1-3H2,(H,7,8)(H,9,10).
What are the key properties of 2-methylidenehexanedioic acid;2-methylidenepentanedioic acid?
2-methylidenehexanedioic acid;2-methylidenepentanedioic acid has a molecular weight of 302.28 g/mol, XLogP of 1.37, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidenehexanedioic acid;2-methylidenepentanedioic acid is sourced from PubChem (CID 87602044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).