oxolane;titanium

C8H16O2Ti — CID 160710512

IUPACoxolane;titanium
SMILESC1CCOC1.C1CCOC1.[Ti]
InChIInChI=1S/2C4H8O.Ti/c2*1-2-4-5-3-1;/h2*1-4H2;
InChIKeyRRUICFQLDWVODT-UHFFFAOYSA-N
MW192.08 g/mol
LogP1.59
Rot. Bonds

About oxolane;titanium

oxolane;titanium (PubChem CID 160710512) has the molecular formula C8H16O2Ti and a molecular weight of 192.08 g/mol. Its IUPAC name is oxolane;titanium.

Molecular Properties

Compound Nameoxolane;titanium
PubChem CID160710512
Molecular FormulaC8H16O2Ti
Molecular Weight192.08 g/mol
Exact Mass192.06
IUPAC Nameoxolane;titanium
SMILESC1CCOC1.C1CCOC1.[Ti]
InChIInChI=1S/2C4H8O.Ti/c2*1-2-4-5-3-1;/h2*1-4H2;
InChIKeyRRUICFQLDWVODT-UHFFFAOYSA-N
XLogP1.59
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.08
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of oxolane;titanium?
The IUPAC name of oxolane;titanium (CID 160710512) is oxolane;titanium.
What is the SMILES notation for oxolane;titanium?
The canonical SMILES for oxolane;titanium is C1CCOC1.C1CCOC1.[Ti].
What is the InChIKey of oxolane;titanium?
The InChIKey is RRUICFQLDWVODT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H8O.Ti/c2*1-2-4-5-3-1;/h2*1-4H2;.
What are the key properties of oxolane;titanium?
oxolane;titanium has a molecular weight of 192.08 g/mol, XLogP of 1.59, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxolane;titanium is sourced from PubChem (CID 160710512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).