(Z)-but-2-enedioic acid;dioxotitanium

C4H4O6Ti — CID 174893866

IUPAC(Z)-but-2-enedioic acid;dioxotitanium
SMILESO=C(O)/C=C\C(=O)O.O=[Ti]=O
InChIInChI=1S/C4H4O4.2O.Ti/c5-3(6)1-2-4(7)8;;;/h1-2H,(H,5,6)(H,7,8);;;/b2-1-;;;
InChIKeyXHRIXZQDVZZLEF-GRHBHMESSA-N
MW195.94 g/mol
LogP-0.53
Rot. Bonds2

About (Z)-but-2-enedioic acid;dioxotitanium

(Z)-but-2-enedioic acid;dioxotitanium (PubChem CID 174893866) has the molecular formula C4H4O6Ti and a molecular weight of 195.94 g/mol. Its IUPAC name is (Z)-but-2-enedioic acid;dioxotitanium.

Molecular Properties

Compound Name(Z)-but-2-enedioic acid;dioxotitanium
PubChem CID174893866
Molecular FormulaC4H4O6Ti
Molecular Weight195.94 g/mol
Exact Mass195.95
IUPAC Name(Z)-but-2-enedioic acid;dioxotitanium
SMILESO=C(O)/C=C\C(=O)O.O=[Ti]=O
InChIInChI=1S/C4H4O4.2O.Ti/c5-3(6)1-2-4(7)8;;;/h1-2H,(H,5,6)(H,7,8);;;/b2-1-;;;
InChIKeyXHRIXZQDVZZLEF-GRHBHMESSA-N
XLogP-0.53
TPSA108.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.94
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(Z)-but-2-enedioic acid;copper(1+)
CID 139263227
(E)-but-2-enedioic acid;iron
CID 5478817
(Z)-but-2-enedioic acid;manganese
CID 87121555
CID 87073039
CID 87073039
(Z)-but-2-enedioic acid;nickel
CID 24883656
tris(but-2-enedioic acid);hydrate
CID 173409563
(Z)-but-2-enedioic acid;hydrate
CID 86620054
CID 76552400
CID 76552400
but-2-enedioic acid;dihydrate
CID 76541248
(Z)-but-2-enedioic acid;gold
CID 174837134
azane;bis((E)-but-2-enedioic acid)
CID 87996706
(Z)-but-2-enedioic acid;neodymium
CID 87072249

Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-enedioic acid;dioxotitanium?
The IUPAC name of (Z)-but-2-enedioic acid;dioxotitanium (CID 174893866) is (Z)-but-2-enedioic acid;dioxotitanium.
What is the SMILES notation for (Z)-but-2-enedioic acid;dioxotitanium?
The canonical SMILES for (Z)-but-2-enedioic acid;dioxotitanium is O=C(O)/C=C\C(=O)O.O=[Ti]=O.
What is the InChIKey of (Z)-but-2-enedioic acid;dioxotitanium?
The InChIKey is XHRIXZQDVZZLEF-GRHBHMESSA-N. The full InChI is InChI=1S/C4H4O4.2O.Ti/c5-3(6)1-2-4(7)8;;;/h1-2H,(H,5,6)(H,7,8);;;/b2-1-;;;.
What are the key properties of (Z)-but-2-enedioic acid;dioxotitanium?
(Z)-but-2-enedioic acid;dioxotitanium has a molecular weight of 195.94 g/mol, XLogP of -0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-but-2-enedioic acid;dioxotitanium is sourced from PubChem (CID 174893866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).