carbonyl dichloride;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium

C11H15Cl2OTi- — CID 87978911

IUPACcarbonyl dichloride;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium
SMILESCC1=[C-]C(C)(C)C(C)=C1C.O=C(Cl)Cl.[Ti]
InChIInChI=1S/C10H15.CCl2O.Ti/c1-7-6-10(4,5)9(3)8(7)2;2-1(3)4;/h1-5H3;;/q-1;;
InChIKeyBLOBBTNZJMVGCU-UHFFFAOYSA-N
MW282.01 g/mol
LogP4.69
Rot. Bonds

About carbonyl dichloride;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium

carbonyl dichloride;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium (PubChem CID 87978911) has the molecular formula C11H15Cl2OTi- and a molecular weight of 282.01 g/mol. Its IUPAC name is carbonyl dichloride;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium.

Molecular Properties

Compound Namecarbonyl dichloride;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium
PubChem CID87978911
Molecular FormulaC11H15Cl2OTi-
Molecular Weight282.01 g/mol
Exact Mass281.00
IUPAC Namecarbonyl dichloride;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium
SMILESCC1=[C-]C(C)(C)C(C)=C1C.O=C(Cl)Cl.[Ti]
InChIInChI=1S/C10H15.CCl2O.Ti/c1-7-6-10(4,5)9(3)8(7)2;2-1(3)4;/h1-5H3;;/q-1;;
InChIKeyBLOBBTNZJMVGCU-UHFFFAOYSA-N
XLogP4.69
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.01
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of carbonyl dichloride;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium?
The IUPAC name of carbonyl dichloride;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium (CID 87978911) is carbonyl dichloride;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium.
What is the SMILES notation for carbonyl dichloride;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium?
The canonical SMILES for carbonyl dichloride;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium is CC1=[C-]C(C)(C)C(C)=C1C.O=C(Cl)Cl.[Ti].
What is the InChIKey of carbonyl dichloride;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium?
The InChIKey is BLOBBTNZJMVGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15.CCl2O.Ti/c1-7-6-10(4,5)9(3)8(7)2;2-1(3)4;/h1-5H3;;/q-1;;.
What are the key properties of carbonyl dichloride;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium?
carbonyl dichloride;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium has a molecular weight of 282.01 g/mol, XLogP of 4.69, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbonyl dichloride;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium is sourced from PubChem (CID 87978911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).