bis(1-methylcyclopenta-1,3-diene);titanium

C12H16Ti — CID 158874137

IUPACbis(1-methylcyclopenta-1,3-diene);titanium
SMILESCC1=CC=CC1.CC1=CC=CC1.[Ti]
InChIInChI=1S/2C6H8.Ti/c2*1-6-4-2-3-5-6;/h2*2-4H,5H2,1H3;
InChIKeyJCFKTBZXPJQTPK-UHFFFAOYSA-N
MW208.13 g/mol
LogP3.78
Rot. Bonds

About bis(1-methylcyclopenta-1,3-diene);titanium

bis(1-methylcyclopenta-1,3-diene);titanium (PubChem CID 158874137) has the molecular formula C12H16Ti and a molecular weight of 208.13 g/mol. Its IUPAC name is bis(1-methylcyclopenta-1,3-diene);titanium.

Molecular Properties

Compound Namebis(1-methylcyclopenta-1,3-diene);titanium
PubChem CID158874137
Molecular FormulaC12H16Ti
Molecular Weight208.13 g/mol
Exact Mass208.07
IUPAC Namebis(1-methylcyclopenta-1,3-diene);titanium
SMILESCC1=CC=CC1.CC1=CC=CC1.[Ti]
InChIInChI=1S/2C6H8.Ti/c2*1-6-4-2-3-5-6;/h2*2-4H,5H2,1H3;
InChIKeyJCFKTBZXPJQTPK-UHFFFAOYSA-N
XLogP3.78
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 ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of bis(1-methylcyclopenta-1,3-diene);titanium?
The IUPAC name of bis(1-methylcyclopenta-1,3-diene);titanium (CID 158874137) is bis(1-methylcyclopenta-1,3-diene);titanium.
What is the SMILES notation for bis(1-methylcyclopenta-1,3-diene);titanium?
The canonical SMILES for bis(1-methylcyclopenta-1,3-diene);titanium is CC1=CC=CC1.CC1=CC=CC1.[Ti].
What is the InChIKey of bis(1-methylcyclopenta-1,3-diene);titanium?
The InChIKey is JCFKTBZXPJQTPK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H8.Ti/c2*1-6-4-2-3-5-6;/h2*2-4H,5H2,1H3;.
What are the key properties of bis(1-methylcyclopenta-1,3-diene);titanium?
bis(1-methylcyclopenta-1,3-diene);titanium has a molecular weight of 208.13 g/mol, XLogP of 3.78, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-methylcyclopenta-1,3-diene);titanium is sourced from PubChem (CID 158874137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).