hexanoic acid;2-methylprop-2-enoic acid;zinc

C10H18O4Zn — CID 174858800

IUPAChexanoic acid;2-methylprop-2-enoic acid;zinc
SMILESC=C(C)C(=O)O.CCCCCC(=O)O.[Zn]
InChIInChI=1S/C6H12O2.C4H6O2.Zn/c1-2-3-4-5-6(7)8;1-3(2)4(5)6;/h2-5H2,1H3,(H,7,8);1H2,2H3,(H,5,6);
InChIKeyZJFXDPCMHYDRKN-UHFFFAOYSA-N
MW267.64 g/mol
LogP2.30
Rot. Bonds5

About hexanoic acid;2-methylprop-2-enoic acid;zinc

hexanoic acid;2-methylprop-2-enoic acid;zinc (PubChem CID 174858800) has the molecular formula C10H18O4Zn and a molecular weight of 267.64 g/mol. Its IUPAC name is hexanoic acid;2-methylprop-2-enoic acid;zinc.

Molecular Properties

Compound Namehexanoic acid;2-methylprop-2-enoic acid;zinc
PubChem CID174858800
Molecular FormulaC10H18O4Zn
Molecular Weight267.64 g/mol
Exact Mass266.05
IUPAC Namehexanoic acid;2-methylprop-2-enoic acid;zinc
SMILESC=C(C)C(=O)O.CCCCCC(=O)O.[Zn]
InChIInChI=1S/C6H12O2.C4H6O2.Zn/c1-2-3-4-5-6(7)8;1-3(2)4(5)6;/h2-5H2,1H3,(H,7,8);1H2,2H3,(H,5,6);
InChIKeyZJFXDPCMHYDRKN-UHFFFAOYSA-N
XLogP2.30
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.64
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bis(2-methylprop-2-enoic acid);octadecanoic acid
CID 158142105
dodecanoic acid;2-methylprop-2-enoic acid;zirconium
CID 88603348
2-methylprop-2-enoic acid;octadecanoic acid;oxotitanium
CID 88668587
dodecanoic acid;bis(2-methylprop-1-ene)
CID 160518474
2-methylprop-2-enoic acid;octacosane
CID 158715869
octadecane;octadecanoic acid;zinc
CID 175089240
bis(decanoic acid);zinc
CID 118855949
azane;octadecanoic acid;zinc
CID 175418700
methanol;octadecanoic acid;zinc
CID 163303961
iron;octadecanoic acid;zinc
CID 173220720
hexadecanoic acid;propan-2-one
CID 87722461
acetic acid;hexanoic acid;silver
CID 22889705

Frequently Asked Questions

What is the IUPAC name of hexanoic acid;2-methylprop-2-enoic acid;zinc?
The IUPAC name of hexanoic acid;2-methylprop-2-enoic acid;zinc (CID 174858800) is hexanoic acid;2-methylprop-2-enoic acid;zinc.
What is the SMILES notation for hexanoic acid;2-methylprop-2-enoic acid;zinc?
The canonical SMILES for hexanoic acid;2-methylprop-2-enoic acid;zinc is C=C(C)C(=O)O.CCCCCC(=O)O.[Zn].
What is the InChIKey of hexanoic acid;2-methylprop-2-enoic acid;zinc?
The InChIKey is ZJFXDPCMHYDRKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2.C4H6O2.Zn/c1-2-3-4-5-6(7)8;1-3(2)4(5)6;/h2-5H2,1H3,(H,7,8);1H2,2H3,(H,5,6);.
What are the key properties of hexanoic acid;2-methylprop-2-enoic acid;zinc?
hexanoic acid;2-methylprop-2-enoic acid;zinc has a molecular weight of 267.64 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hexanoic acid;2-methylprop-2-enoic acid;zinc is sourced from PubChem (CID 174858800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).