carbanide;bis(2-methylcyclopenta-1,3-diene);titanium(4+)

C14H20Ti — CID 21256036

IUPACcarbanide;bis(2-methylcyclopenta-1,3-diene);titanium(4+)
SMILESCC1=[C-]CC=C1.CC1=[C-]CC=C1.[CH3-].[CH3-].[Ti+4]
InChIInChI=1S/2C6H7.2CH3.Ti/c2*1-6-4-2-3-5-6;;;/h2*2,4H,3H2,1H3;2*1H3;/q4*-1;+4
InChIKeyFUFZOELDGPUUIU-UHFFFAOYSA-N
MW236.18 g/mol
LogP4.29
Rot. Bonds

About carbanide;bis(2-methylcyclopenta-1,3-diene);titanium(4+)

carbanide;bis(2-methylcyclopenta-1,3-diene);titanium(4+) (PubChem CID 21256036) has the molecular formula C14H20Ti and a molecular weight of 236.18 g/mol. Its IUPAC name is carbanide;bis(2-methylcyclopenta-1,3-diene);titanium(4+).

Molecular Properties

Compound Namecarbanide;bis(2-methylcyclopenta-1,3-diene);titanium(4+)
PubChem CID21256036
Molecular FormulaC14H20Ti
Molecular Weight236.18 g/mol
Exact Mass236.10
IUPAC Namecarbanide;bis(2-methylcyclopenta-1,3-diene);titanium(4+)
SMILESCC1=[C-]CC=C1.CC1=[C-]CC=C1.[CH3-].[CH3-].[Ti+4]
InChIInChI=1S/2C6H7.2CH3.Ti/c2*1-6-4-2-3-5-6;;;/h2*2,4H,3H2,1H3;2*1H3;/q4*-1;+4
InChIKeyFUFZOELDGPUUIU-UHFFFAOYSA-N
XLogP4.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.18
LogP ≤ 54.29
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

trans-Alloocimene
CID 5368821
beta-Ocimene
CID 18756
beta-Ocimene, (3Z)-
CID 5320250
beta-OCIMENE, (3E)-
CID 5281553
2,6-Dimethylocta-2,4,6-triene
CID 12658
Dimethylhexadiene
CID 6365525
Ocimene
CID 6434062
1,3-Cyclopentadiene, 5-(1-methylethylidene)-
CID 137467
Alloocimene, (4E,6Z)-
CID 5371125
Artemisia triene
CID 5320377
Cosmene
CID 5368451
3,5,7-Trimethyl-2E,4E,6E,8E-decatetraene
CID 14656044

Frequently Asked Questions

What is the IUPAC name of carbanide;bis(2-methylcyclopenta-1,3-diene);titanium(4+)?
The IUPAC name of carbanide;bis(2-methylcyclopenta-1,3-diene);titanium(4+) (CID 21256036) is carbanide;bis(2-methylcyclopenta-1,3-diene);titanium(4+).
What is the SMILES notation for carbanide;bis(2-methylcyclopenta-1,3-diene);titanium(4+)?
The canonical SMILES for carbanide;bis(2-methylcyclopenta-1,3-diene);titanium(4+) is CC1=[C-]CC=C1.CC1=[C-]CC=C1.[CH3-].[CH3-].[Ti+4].
What is the InChIKey of carbanide;bis(2-methylcyclopenta-1,3-diene);titanium(4+)?
The InChIKey is FUFZOELDGPUUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H7.2CH3.Ti/c2*1-6-4-2-3-5-6;;;/h2*2,4H,3H2,1H3;2*1H3;/q4*-1;+4.
What are the key properties of carbanide;bis(2-methylcyclopenta-1,3-diene);titanium(4+)?
carbanide;bis(2-methylcyclopenta-1,3-diene);titanium(4+) has a molecular weight of 236.18 g/mol, XLogP of 4.29, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;bis(2-methylcyclopenta-1,3-diene);titanium(4+) is sourced from PubChem (CID 21256036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).