cobalt;cyclopenta-1,3-diene;dimethyl (E)-but-2-enedioate;triethyl phosphite

C17H29CoO7P — CID 172915817

IUPACcobalt;cyclopenta-1,3-diene;dimethyl (E)-but-2-enedioate;triethyl phosphite
SMILESC1=CCC=C1.CCOP(OCC)OCC.COC(=O)/C=C/C(=O)OC.[Co]
InChIInChI=1S/C6H8O4.C6H15O3P.C5H6.Co/c1-9-5(7)3-4-6(8)10-2;1-4-7-10(8-5-2)9-6-3;1-2-4-5-3-1;/h3-4H,1-2H3;4-6H2,1-3H3;1-4H,5H2;/b4-3+;;;
InChIKeyBCRXGLOCVMVGQF-FHJHGPAASA-N
MW435.32 g/mol
LogP3.71
Rot. Bonds8

About cobalt;cyclopenta-1,3-diene;dimethyl (E)-but-2-enedioate;triethyl phosphite

cobalt;cyclopenta-1,3-diene;dimethyl (E)-but-2-enedioate;triethyl phosphite (PubChem CID 172915817) has the molecular formula C17H29CoO7P and a molecular weight of 435.32 g/mol. Its IUPAC name is cobalt;cyclopenta-1,3-diene;dimethyl (E)-but-2-enedioate;triethyl phosphite.

Molecular Properties

Compound Namecobalt;cyclopenta-1,3-diene;dimethyl (E)-but-2-enedioate;triethyl phosphite
PubChem CID172915817
Molecular FormulaC17H29CoO7P
Molecular Weight435.32 g/mol
Exact Mass435.10
IUPAC Namecobalt;cyclopenta-1,3-diene;dimethyl (E)-but-2-enedioate;triethyl phosphite
SMILESC1=CCC=C1.CCOP(OCC)OCC.COC(=O)/C=C/C(=O)OC.[Co]
InChIInChI=1S/C6H8O4.C6H15O3P.C5H6.Co/c1-9-5(7)3-4-6(8)10-2;1-4-7-10(8-5-2)9-6-3;1-2-4-5-3-1;/h3-4H,1-2H3;4-6H2,1-3H3;1-4H,5H2;/b4-3+;;;
InChIKeyBCRXGLOCVMVGQF-FHJHGPAASA-N
XLogP3.71
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.32
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

cycloocta-1,3,5-triene;bis(dimethyl but-2-enedioate);ruthenium
CID 16751141
CID 160615105
CID 160615105
dimethyl (Z)-but-2-enedioate;triethoxysilane
CID 174885500
dimethyl (Z)-but-2-enedioate;ethyl acetate
CID 174859797
4-O-[(Z)-4-ethoxy-4-oxobut-2-enoyl] 1-O-methyl (Z)-but-2-enedioate
CID 87630975
dimethyl (2E,5E)-hepta-2,5-dienedioate
CID 23523209
dimethyl octa-2,4,6-trienedioate
CID 5250542
6-O-ethyl 1-O-methyl (2E,4E)-hexa-2,4-dienedioate
CID 87458458
but-2-enedioic acid;dimethyl but-2-enedioate
CID 160537834
5-O-ethyl 1-O-methyl 4-methylidenepent-2-enedioate
CID 173366689
methyl (E)-5-methyl-4-oxohex-2-enoate
CID 11084121
methyl (E)-3-(ethoxyamino)prop-2-enoate
CID 103254517

Frequently Asked Questions

What is the IUPAC name of cobalt;cyclopenta-1,3-diene;dimethyl (E)-but-2-enedioate;triethyl phosphite?
The IUPAC name of cobalt;cyclopenta-1,3-diene;dimethyl (E)-but-2-enedioate;triethyl phosphite (CID 172915817) is cobalt;cyclopenta-1,3-diene;dimethyl (E)-but-2-enedioate;triethyl phosphite.
What is the SMILES notation for cobalt;cyclopenta-1,3-diene;dimethyl (E)-but-2-enedioate;triethyl phosphite?
The canonical SMILES for cobalt;cyclopenta-1,3-diene;dimethyl (E)-but-2-enedioate;triethyl phosphite is C1=CCC=C1.CCOP(OCC)OCC.COC(=O)/C=C/C(=O)OC.[Co].
What is the InChIKey of cobalt;cyclopenta-1,3-diene;dimethyl (E)-but-2-enedioate;triethyl phosphite?
The InChIKey is BCRXGLOCVMVGQF-FHJHGPAASA-N. The full InChI is InChI=1S/C6H8O4.C6H15O3P.C5H6.Co/c1-9-5(7)3-4-6(8)10-2;1-4-7-10(8-5-2)9-6-3;1-2-4-5-3-1;/h3-4H,1-2H3;4-6H2,1-3H3;1-4H,5H2;/b4-3+;;;.
What are the key properties of cobalt;cyclopenta-1,3-diene;dimethyl (E)-but-2-enedioate;triethyl phosphite?
cobalt;cyclopenta-1,3-diene;dimethyl (E)-but-2-enedioate;triethyl phosphite has a molecular weight of 435.32 g/mol, XLogP of 3.71, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt;cyclopenta-1,3-diene;dimethyl (E)-but-2-enedioate;triethyl phosphite is sourced from PubChem (CID 172915817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).