carbanide;dimethyl 2-ethenylbut-2-enedioate;rhodium

C9H11O4Rh-3 — CID 134866986

IUPACcarbanide;dimethyl 2-ethenylbut-2-enedioate;rhodium
SMILES[CH3-].[H]/[C-]=C/C(=[C-]/C(=O)OC)C(=O)OC.[Rh]
InChIInChI=1S/C8H8O4.CH3.Rh/c1-4-6(8(10)12-3)5-7(9)11-2;;/h1,4H,2-3H3;1H3;/q-2;-1;
InChIKeyCBVSNRFKRIUCMA-UHFFFAOYSA-N
MW286.09 g/mol
LogP0.50
Rot. Bonds3

About carbanide;dimethyl 2-ethenylbut-2-enedioate;rhodium

carbanide;dimethyl 2-ethenylbut-2-enedioate;rhodium (PubChem CID 134866986) has the molecular formula C9H11O4Rh-3 and a molecular weight of 286.09 g/mol. Its IUPAC name is carbanide;dimethyl 2-ethenylbut-2-enedioate;rhodium.

Molecular Properties

Compound Namecarbanide;dimethyl 2-ethenylbut-2-enedioate;rhodium
PubChem CID134866986
Molecular FormulaC9H11O4Rh-3
Molecular Weight286.09 g/mol
Exact Mass285.97
IUPAC Namecarbanide;dimethyl 2-ethenylbut-2-enedioate;rhodium
SMILES[CH3-].[H]/[C-]=C/C(=[C-]/C(=O)OC)C(=O)OC.[Rh]
InChIInChI=1S/C8H8O4.CH3.Rh/c1-4-6(8(10)12-3)5-7(9)11-2;;/h1,4H,2-3H3;1H3;/q-2;-1;
InChIKeyCBVSNRFKRIUCMA-UHFFFAOYSA-N
XLogP0.50
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.09
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Pestalafuranone F
CID 139583515
Methyl 2-ethenyl-3-methylbut-2-enoate
CID 13759246
CID 134981237
CID 134981237
Methyl cyclopenta-1,4-diene-1-carboxylate
CID 12103562
Divinyl maleic anhydride
CID 126638869
diethyl (Z)-2-ethenyl-3-fluorobut-2-enedioate
CID 10965919
diethyl (E)-2-ethenyl-3-fluorobut-2-enedioate
CID 11275956
methyl (2Z)-2-(1-fluoroethenyl)penta-2,4-dienoate
CID 144424618
methyl (2Z)-2-ethenyl-3-fluoropenta-2,4-dienoate
CID 144681824
methyl (2Z)-2-[(E)-1-fluoroprop-1-enyl]-3-methylpenta-2,4-dienoate
CID 145597874
methyl (2E,4E,6Z)-2-ethenyl-5-fluoroocta-2,4,6-trienoate
CID 156103536
Dimethyl cyclohepta-1,3,6-triene-1,2-dicarboxylate
CID 11424315

Frequently Asked Questions

What is the IUPAC name of carbanide;dimethyl 2-ethenylbut-2-enedioate;rhodium?
The IUPAC name of carbanide;dimethyl 2-ethenylbut-2-enedioate;rhodium (CID 134866986) is carbanide;dimethyl 2-ethenylbut-2-enedioate;rhodium.
What is the SMILES notation for carbanide;dimethyl 2-ethenylbut-2-enedioate;rhodium?
The canonical SMILES for carbanide;dimethyl 2-ethenylbut-2-enedioate;rhodium is [CH3-].[H]/[C-]=C/C(=[C-]/C(=O)OC)C(=O)OC.[Rh].
What is the InChIKey of carbanide;dimethyl 2-ethenylbut-2-enedioate;rhodium?
The InChIKey is CBVSNRFKRIUCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O4.CH3.Rh/c1-4-6(8(10)12-3)5-7(9)11-2;;/h1,4H,2-3H3;1H3;/q-2;-1;.
What are the key properties of carbanide;dimethyl 2-ethenylbut-2-enedioate;rhodium?
carbanide;dimethyl 2-ethenylbut-2-enedioate;rhodium has a molecular weight of 286.09 g/mol, XLogP of 0.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;dimethyl 2-ethenylbut-2-enedioate;rhodium is sourced from PubChem (CID 134866986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).