hexakis(2-methylprop-2-enoate);molybdenum

C24H30MoO12-6 — CID 173015670

IUPAChexakis(2-methylprop-2-enoate);molybdenum
SMILESC=C(C)C(=O)[O-].C=C(C)C(=O)[O-].C=C(C)C(=O)[O-].C=C(C)C(=O)[O-].C=C(C)C(=O)[O-].C=C(C)C(=O)[O-].[Mo]
InChIInChI=1S/6C4H6O2.Mo/c6*1-3(2)4(5)6;/h6*1H2,2H3,(H,5,6);/p-6
InChIKeyIAHASVRUERSPNB-UHFFFAOYSA-H
MW606.43 g/mol
LogP-4.13
Rot. Bonds6

About hexakis(2-methylprop-2-enoate);molybdenum

hexakis(2-methylprop-2-enoate);molybdenum (PubChem CID 173015670) has the molecular formula C24H30MoO12-6 and a molecular weight of 606.43 g/mol. Its IUPAC name is hexakis(2-methylprop-2-enoate);molybdenum.

Molecular Properties

Compound Namehexakis(2-methylprop-2-enoate);molybdenum
PubChem CID173015670
Molecular FormulaC24H30MoO12-6
Molecular Weight606.43 g/mol
Exact Mass608.08
IUPAC Namehexakis(2-methylprop-2-enoate);molybdenum
SMILESC=C(C)C(=O)[O-].C=C(C)C(=O)[O-].C=C(C)C(=O)[O-].C=C(C)C(=O)[O-].C=C(C)C(=O)[O-].C=C(C)C(=O)[O-].[Mo]
InChIInChI=1S/6C4H6O2.Mo/c6*1-3(2)4(5)6;/h6*1H2,2H3,(H,5,6);/p-6
InChIKeyIAHASVRUERSPNB-UHFFFAOYSA-H
XLogP-4.13
TPSA240.78 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.43
LogP ≤ 5-4.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

calcium;2-methylprop-2-enoate;chloride
CID 174912380
2-methylprop-2-enoate
CID 19005746
gadolinium(3+);tris(2-methylprop-2-enoate)
CID 162156326
bis(2-methylprop-2-enoate);samarium
CID 175299700
sodium;ethene;2-methylprop-2-enoate
CID 23688925
chromium(3+);2-methylprop-2-enoate;chloride
CID 19738661
CID 159432817
CID 159432817
tris(cyclododecane);bis(2-methylprop-2-enoate)
CID 22328247
2-methylprop-2-enoate;trifluoromethane
CID 158491697
potassium;ethene;2-methylprop-2-enoate;2-methylprop-2-enoic acid
CID 23715908
sodium;ethene;2-methylprop-2-enoate;2-methylprop-2-enoic acid
CID 159840606
2-methylprop-2-enoate isocyanate
CID 86653408

Frequently Asked Questions

What is the IUPAC name of hexakis(2-methylprop-2-enoate);molybdenum?
The IUPAC name of hexakis(2-methylprop-2-enoate);molybdenum (CID 173015670) is hexakis(2-methylprop-2-enoate);molybdenum.
What is the SMILES notation for hexakis(2-methylprop-2-enoate);molybdenum?
The canonical SMILES for hexakis(2-methylprop-2-enoate);molybdenum is C=C(C)C(=O)[O-].C=C(C)C(=O)[O-].C=C(C)C(=O)[O-].C=C(C)C(=O)[O-].C=C(C)C(=O)[O-].C=C(C)C(=O)[O-].[Mo].
What is the InChIKey of hexakis(2-methylprop-2-enoate);molybdenum?
The InChIKey is IAHASVRUERSPNB-UHFFFAOYSA-H. The full InChI is InChI=1S/6C4H6O2.Mo/c6*1-3(2)4(5)6;/h6*1H2,2H3,(H,5,6);/p-6.
What are the key properties of hexakis(2-methylprop-2-enoate);molybdenum?
hexakis(2-methylprop-2-enoate);molybdenum has a molecular weight of 606.43 g/mol, XLogP of -4.13, 6 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for hexakis(2-methylprop-2-enoate);molybdenum is sourced from PubChem (CID 173015670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).