1-ethyl-5-methylcyclopenta-1,3-diene;titanium

C8H12Ti — CID 174586212

IUPAC1-ethyl-5-methylcyclopenta-1,3-diene;titanium
SMILESCCC1=CC=CC1C.[Ti]
InChIInChI=1S/C8H12.Ti/c1-3-8-6-4-5-7(8)2;/h4-7H,3H2,1-2H3;
InChIKeyHVKMQGPAAOZRTP-UHFFFAOYSA-N
MW156.05 g/mol
LogP2.53
Rot. Bonds1

About 1-ethyl-5-methylcyclopenta-1,3-diene;titanium

1-ethyl-5-methylcyclopenta-1,3-diene;titanium (PubChem CID 174586212) has the molecular formula C8H12Ti and a molecular weight of 156.05 g/mol. Its IUPAC name is 1-ethyl-5-methylcyclopenta-1,3-diene;titanium.

Molecular Properties

Compound Name1-ethyl-5-methylcyclopenta-1,3-diene;titanium
PubChem CID174586212
Molecular FormulaC8H12Ti
Molecular Weight156.05 g/mol
Exact Mass156.04
IUPAC Name1-ethyl-5-methylcyclopenta-1,3-diene;titanium
SMILESCCC1=CC=CC1C.[Ti]
InChIInChI=1S/C8H12.Ti/c1-3-8-6-4-5-7(8)2;/h4-7H,3H2,1-2H3;
InChIKeyHVKMQGPAAOZRTP-UHFFFAOYSA-N
XLogP2.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.05
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-methylcyclopenta-1,3-diene;titanium?
The IUPAC name of 1-ethyl-5-methylcyclopenta-1,3-diene;titanium (CID 174586212) is 1-ethyl-5-methylcyclopenta-1,3-diene;titanium.
What is the SMILES notation for 1-ethyl-5-methylcyclopenta-1,3-diene;titanium?
The canonical SMILES for 1-ethyl-5-methylcyclopenta-1,3-diene;titanium is CCC1=CC=CC1C.[Ti].
What is the InChIKey of 1-ethyl-5-methylcyclopenta-1,3-diene;titanium?
The InChIKey is HVKMQGPAAOZRTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12.Ti/c1-3-8-6-4-5-7(8)2;/h4-7H,3H2,1-2H3;.
What are the key properties of 1-ethyl-5-methylcyclopenta-1,3-diene;titanium?
1-ethyl-5-methylcyclopenta-1,3-diene;titanium has a molecular weight of 156.05 g/mol, XLogP of 2.53, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-methylcyclopenta-1,3-diene;titanium is sourced from PubChem (CID 174586212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).