cyclopenta-1,3-diene;bis(oxygen(2-));titanium(4+)

C5H6O2Ti — CID 160905946

IUPACcyclopenta-1,3-diene;bis(oxygen(2-));titanium(4+)
SMILESC1=CCC=C1.[O-2].[O-2].[Ti+4]
InChIInChI=1S/C5H6.2O.Ti/c1-2-4-5-3-1;;;/h1-4H,5H2;;;/q;2*-2;+4
InChIKeySQDHHLGTMQUVSH-UHFFFAOYSA-N
MW145.97 g/mol
LogP1.26
Rot. Bonds

About cyclopenta-1,3-diene;bis(oxygen(2-));titanium(4+)

cyclopenta-1,3-diene;bis(oxygen(2-));titanium(4+) (PubChem CID 160905946) has the molecular formula C5H6O2Ti and a molecular weight of 145.97 g/mol. Its IUPAC name is cyclopenta-1,3-diene;bis(oxygen(2-));titanium(4+).

Molecular Properties

Compound Namecyclopenta-1,3-diene;bis(oxygen(2-));titanium(4+)
PubChem CID160905946
Molecular FormulaC5H6O2Ti
Molecular Weight145.97 g/mol
Exact Mass145.98
IUPAC Namecyclopenta-1,3-diene;bis(oxygen(2-));titanium(4+)
SMILESC1=CCC=C1.[O-2].[O-2].[Ti+4]
InChIInChI=1S/C5H6.2O.Ti/c1-2-4-5-3-1;;;/h1-4H,5H2;;;/q;2*-2;+4
InChIKeySQDHHLGTMQUVSH-UHFFFAOYSA-N
XLogP1.26
TPSA57.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.97
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

tris(cyclopenta-1,3-diene);titanium(4+);tetrachloride
CID 173398941
cyclopenta-1,3-diene
CID 159248657
potassium cyclopenta-1,3-diene
CID 22494929
sodium cyclopenta-1,3-diene
CID 19606718
bis(cyclopenta-1,3-diene);hydrobromide
CID 173376640
cyclopenta-1,3-diene;scandium
CID 158619793
cyclopenta-1,3-diene;osmium
CID 161133624
(1E,3Z,5E)-cyclododeca-1,3,5,8,10-pentaene
CID 173030962
chromium;cyclopenta-1,3-diene
CID 158699246
(1Z,3E,5Z,8E)-cyclododeca-1,3,5,8,10-pentaene
CID 173118485
(6E,9E,12Z)-cyclotetradeca-1,3,6,9,12-pentaene
CID 173030463
cyclopenta-1,3-diene;hafnium;dichloride
CID 174329736

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;bis(oxygen(2-));titanium(4+)?
The IUPAC name of cyclopenta-1,3-diene;bis(oxygen(2-));titanium(4+) (CID 160905946) is cyclopenta-1,3-diene;bis(oxygen(2-));titanium(4+).
What is the SMILES notation for cyclopenta-1,3-diene;bis(oxygen(2-));titanium(4+)?
The canonical SMILES for cyclopenta-1,3-diene;bis(oxygen(2-));titanium(4+) is C1=CCC=C1.[O-2].[O-2].[Ti+4].
What is the InChIKey of cyclopenta-1,3-diene;bis(oxygen(2-));titanium(4+)?
The InChIKey is SQDHHLGTMQUVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6.2O.Ti/c1-2-4-5-3-1;;;/h1-4H,5H2;;;/q;2*-2;+4.
What are the key properties of cyclopenta-1,3-diene;bis(oxygen(2-));titanium(4+)?
cyclopenta-1,3-diene;bis(oxygen(2-));titanium(4+) has a molecular weight of 145.97 g/mol, XLogP of 1.26, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;bis(oxygen(2-));titanium(4+) is sourced from PubChem (CID 160905946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).