2-methylidenehexanoic acid;zinc

C7H12O2Zn — CID 174824467

IUPAC2-methylidenehexanoic acid;zinc
SMILESC=C(CCCC)C(=O)O.[Zn]
InChIInChI=1S/C7H12O2.Zn/c1-3-4-5-6(2)7(8)9;/h2-5H2,1H3,(H,8,9);
InChIKeyXGTVNYGMOAHGPC-UHFFFAOYSA-N
MW193.56 g/mol
LogP1.81
Rot. Bonds4

About 2-methylidenehexanoic acid;zinc

2-methylidenehexanoic acid;zinc (PubChem CID 174824467) has the molecular formula C7H12O2Zn and a molecular weight of 193.56 g/mol. Its IUPAC name is 2-methylidenehexanoic acid;zinc.

Molecular Properties

Compound Name2-methylidenehexanoic acid;zinc
PubChem CID174824467
Molecular FormulaC7H12O2Zn
Molecular Weight193.56 g/mol
Exact Mass192.01
IUPAC Name2-methylidenehexanoic acid;zinc
SMILESC=C(CCCC)C(=O)O.[Zn]
InChIInChI=1S/C7H12O2.Zn/c1-3-4-5-6(2)7(8)9;/h2-5H2,1H3,(H,8,9);
InChIKeyXGTVNYGMOAHGPC-UHFFFAOYSA-N
XLogP1.81
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.56
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-methylidenehexanoic acid
CID 162072915
2-methylidenebutanoic acid;2-methylidenehexanoic acid
CID 87730844
2-methylidenedecanoic acid;2-methylideneundecanoic acid
CID 87527808
magnesium;hydride;2-methylideneheptanoic acid
CID 174921756
2-methylidenepentanoic acid;hydrate
CID 88770361
2-methylidene-5-pentoxypentanoic acid
CID 87899269
2,11-dimethylidenedodecanedioic acid
CID 20542368
2-methylidenebutanoic acid;2-methylidenehexanoic acid;prop-2-enenitrile
CID 87469422
ethene;2-methylidenehexanoic acid;methyl prop-2-enoate
CID 173217851
7-(butylamino)-2-methylideneheptanoic acid
CID 88729465
4,4-dimethyl-2-methylidenepentanoic acid;2-methylideneheptanoic acid
CID 87445521
5-(dioctylamino)-2-methylidenepentanoic acid
CID 22725816

Frequently Asked Questions

What is the IUPAC name of 2-methylidenehexanoic acid;zinc?
The IUPAC name of 2-methylidenehexanoic acid;zinc (CID 174824467) is 2-methylidenehexanoic acid;zinc.
What is the SMILES notation for 2-methylidenehexanoic acid;zinc?
The canonical SMILES for 2-methylidenehexanoic acid;zinc is C=C(CCCC)C(=O)O.[Zn].
What is the InChIKey of 2-methylidenehexanoic acid;zinc?
The InChIKey is XGTVNYGMOAHGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2.Zn/c1-3-4-5-6(2)7(8)9;/h2-5H2,1H3,(H,8,9);.
What are the key properties of 2-methylidenehexanoic acid;zinc?
2-methylidenehexanoic acid;zinc has a molecular weight of 193.56 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidenehexanoic acid;zinc is sourced from PubChem (CID 174824467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).