carbanide;cyclopenta-1,3-diene;cyclopentane;titanium

C12H16Ti-8 — CID 11986536

IUPACcarbanide;cyclopenta-1,3-diene;cyclopentane;titanium
SMILES[CH3-].[CH3-].[Ti].[cH-]1[cH-][cH-][cH-][cH-]1.c1cc[cH-]c1
InChIInChI=1S/2C5H5.2CH3.Ti/c2*1-2-4-5-3-1;;;/h2*1-5H;2*1H3;/q-5;3*-1;
InChIKeyDFOPLIUSYXUIEZ-UHFFFAOYSA-N
MW208.13 g/mol
LogP3.71
Rot. Bonds

About carbanide;cyclopenta-1,3-diene;cyclopentane;titanium

carbanide;cyclopenta-1,3-diene;cyclopentane;titanium (PubChem CID 11986536) has the molecular formula C12H16Ti-8 and a molecular weight of 208.13 g/mol. Its IUPAC name is carbanide;cyclopenta-1,3-diene;cyclopentane;titanium.

Molecular Properties

Compound Namecarbanide;cyclopenta-1,3-diene;cyclopentane;titanium
PubChem CID11986536
Molecular FormulaC12H16Ti-8
Molecular Weight208.13 g/mol
Exact Mass208.08
IUPAC Namecarbanide;cyclopenta-1,3-diene;cyclopentane;titanium
SMILES[CH3-].[CH3-].[Ti].[cH-]1[cH-][cH-][cH-][cH-]1.c1cc[cH-]c1
InChIInChI=1S/2C5H5.2CH3.Ti/c2*1-2-4-5-3-1;;;/h2*1-5H;2*1H3;/q-5;3*-1;
InChIKeyDFOPLIUSYXUIEZ-UHFFFAOYSA-N
XLogP3.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.13
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

cyclopenta-1,3-diene;cyclopentane;tantalum dihydride
CID 11984734
pentakis(cyclopenta-1,3-diene);cyclopentane;hafnium;trihydrate
CID 11985834
cyclopenta-1,3-diene;cyclopentane;iron;hydrofluoride
CID 175426110
carbanide;cyclopenta-1,3-diene;iron(3+)
CID 139939973
carbanide;bis(cyclopenta-1,3-diene);zirconium(4+)
CID 72747194
carbanide;cyclopenta-1,3-diene;manganese
CID 140917109
carbanide;tris(cyclopenta-1,3-diene);tris(yttrium)
CID 175586700
carbanide;cyclopenta-1,3-diene;platinum(4+)
CID 24941969
alumane;cyclopenta-1,3-diene;cyclopentane;iron;hydrochloride
CID 173320155
magnesium;cyclopenta-1,3-diene;cyclopentane;hydride;iron
CID 173382840
carbanide;cyclopenta-1,3-diene;zirconium(3+);tribromide
CID 160804559
carbanide;chromium(4+);bis(cyclopenta-1,3-diene);chloride
CID 172803177

Frequently Asked Questions

What is the IUPAC name of carbanide;cyclopenta-1,3-diene;cyclopentane;titanium?
The IUPAC name of carbanide;cyclopenta-1,3-diene;cyclopentane;titanium (CID 11986536) is carbanide;cyclopenta-1,3-diene;cyclopentane;titanium.
What is the SMILES notation for carbanide;cyclopenta-1,3-diene;cyclopentane;titanium?
The canonical SMILES for carbanide;cyclopenta-1,3-diene;cyclopentane;titanium is [CH3-].[CH3-].[Ti].[cH-]1[cH-][cH-][cH-][cH-]1.c1cc[cH-]c1.
What is the InChIKey of carbanide;cyclopenta-1,3-diene;cyclopentane;titanium?
The InChIKey is DFOPLIUSYXUIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H5.2CH3.Ti/c2*1-2-4-5-3-1;;;/h2*1-5H;2*1H3;/q-5;3*-1;.
What are the key properties of carbanide;cyclopenta-1,3-diene;cyclopentane;titanium?
carbanide;cyclopenta-1,3-diene;cyclopentane;titanium has a molecular weight of 208.13 g/mol, XLogP of 3.71, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;cyclopenta-1,3-diene;cyclopentane;titanium is sourced from PubChem (CID 11986536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).