tris(butan-1-ol);2-methylprop-2-enoic acid;titanium

C16H36O5Ti — CID 15771127

IUPACtris(butan-1-ol);2-methylprop-2-enoic acid;titanium
SMILESC=C(C)C(=O)O.CCCCO.CCCCO.CCCCO.[Ti]
InChIInChI=1S/C4H6O2.3C4H10O.Ti/c1-3(2)4(5)6;3*1-2-3-4-5;/h1H2,2H3,(H,5,6);3*5H,2-4H2,1H3;
InChIKeySAVPZRRPTMYZIW-UHFFFAOYSA-N
MW356.33 g/mol
LogP2.98
Rot. Bonds7

About tris(butan-1-ol);2-methylprop-2-enoic acid;titanium

tris(butan-1-ol);2-methylprop-2-enoic acid;titanium (PubChem CID 15771127) has the molecular formula C16H36O5Ti and a molecular weight of 356.33 g/mol. Its IUPAC name is tris(butan-1-ol);2-methylprop-2-enoic acid;titanium.

Molecular Properties

Compound Nametris(butan-1-ol);2-methylprop-2-enoic acid;titanium
PubChem CID15771127
Molecular FormulaC16H36O5Ti
Molecular Weight356.33 g/mol
Exact Mass356.20
IUPAC Nametris(butan-1-ol);2-methylprop-2-enoic acid;titanium
SMILESC=C(C)C(=O)O.CCCCO.CCCCO.CCCCO.[Ti]
InChIInChI=1S/C4H6O2.3C4H10O.Ti/c1-3(2)4(5)6;3*1-2-3-4-5;/h1H2,2H3,(H,5,6);3*5H,2-4H2,1H3;
InChIKeySAVPZRRPTMYZIW-UHFFFAOYSA-N
XLogP2.98
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.33
LogP ≤ 52.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tris(butan-1-ol);2-methylprop-2-enoic acid;titanium?
The IUPAC name of tris(butan-1-ol);2-methylprop-2-enoic acid;titanium (CID 15771127) is tris(butan-1-ol);2-methylprop-2-enoic acid;titanium.
What is the SMILES notation for tris(butan-1-ol);2-methylprop-2-enoic acid;titanium?
The canonical SMILES for tris(butan-1-ol);2-methylprop-2-enoic acid;titanium is C=C(C)C(=O)O.CCCCO.CCCCO.CCCCO.[Ti].
What is the InChIKey of tris(butan-1-ol);2-methylprop-2-enoic acid;titanium?
The InChIKey is SAVPZRRPTMYZIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O2.3C4H10O.Ti/c1-3(2)4(5)6;3*1-2-3-4-5;/h1H2,2H3,(H,5,6);3*5H,2-4H2,1H3;.
What are the key properties of tris(butan-1-ol);2-methylprop-2-enoic acid;titanium?
tris(butan-1-ol);2-methylprop-2-enoic acid;titanium has a molecular weight of 356.33 g/mol, XLogP of 2.98, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tris(butan-1-ol);2-methylprop-2-enoic acid;titanium is sourced from PubChem (CID 15771127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).