1-chloro-3-[2-(4-chloro-5-methylcyclopenta-1,4-dien-1-yl)propan-2-yl]-2-methylcyclopenta-1,3-diene;titanium

C15H18Cl2Ti — CID 87867199

IUPAC1-chloro-3-[2-(4-chloro-5-methylcyclopenta-1,4-dien-1-yl)propan-2-yl]-2-methylcyclopenta-1,3-diene;titanium
SMILESCC1=C(Cl)CC=C1C(C)(C)C1=CCC(Cl)=C1C.[Ti]
InChIInChI=1S/C15H18Cl2.Ti/c1-9-11(5-7-13(9)16)15(3,4)12-6-8-14(17)10(12)2;/h5-6H,7-8H2,1-4H3;
InChIKeyUOKICHXQSVAISO-UHFFFAOYSA-N
MW317.08 g/mol
LogP5.70
Rot. Bonds2

About 1-chloro-3-[2-(4-chloro-5-methylcyclopenta-1,4-dien-1-yl)propan-2-yl]-2-methylcyclopenta-1,3-diene;titanium

1-chloro-3-[2-(4-chloro-5-methylcyclopenta-1,4-dien-1-yl)propan-2-yl]-2-methylcyclopenta-1,3-diene;titanium (PubChem CID 87867199) has the molecular formula C15H18Cl2Ti and a molecular weight of 317.08 g/mol. Its IUPAC name is 1-chloro-3-[2-(4-chloro-5-methylcyclopenta-1,4-dien-1-yl)propan-2-yl]-2-methylcyclopenta-1,3-diene;titanium.

Molecular Properties

Compound Name1-chloro-3-[2-(4-chloro-5-methylcyclopenta-1,4-dien-1-yl)propan-2-yl]-2-methylcyclopenta-1,3-diene;titanium
PubChem CID87867199
Molecular FormulaC15H18Cl2Ti
Molecular Weight317.08 g/mol
Exact Mass316.03
IUPAC Name1-chloro-3-[2-(4-chloro-5-methylcyclopenta-1,4-dien-1-yl)propan-2-yl]-2-methylcyclopenta-1,3-diene;titanium
SMILESCC1=C(Cl)CC=C1C(C)(C)C1=CCC(Cl)=C1C.[Ti]
InChIInChI=1S/C15H18Cl2.Ti/c1-9-11(5-7-13(9)16)15(3,4)12-6-8-14(17)10(12)2;/h5-6H,7-8H2,1-4H3;
InChIKeyUOKICHXQSVAISO-UHFFFAOYSA-N
XLogP5.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.08
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-[2-(4-chloro-5-methylcyclopenta-1,4-dien-1-yl)propan-2-yl]-2-methylcyclopenta-1,3-diene;titanium?
The IUPAC name of 1-chloro-3-[2-(4-chloro-5-methylcyclopenta-1,4-dien-1-yl)propan-2-yl]-2-methylcyclopenta-1,3-diene;titanium (CID 87867199) is 1-chloro-3-[2-(4-chloro-5-methylcyclopenta-1,4-dien-1-yl)propan-2-yl]-2-methylcyclopenta-1,3-diene;titanium.
What is the SMILES notation for 1-chloro-3-[2-(4-chloro-5-methylcyclopenta-1,4-dien-1-yl)propan-2-yl]-2-methylcyclopenta-1,3-diene;titanium?
The canonical SMILES for 1-chloro-3-[2-(4-chloro-5-methylcyclopenta-1,4-dien-1-yl)propan-2-yl]-2-methylcyclopenta-1,3-diene;titanium is CC1=C(Cl)CC=C1C(C)(C)C1=CCC(Cl)=C1C.[Ti].
What is the InChIKey of 1-chloro-3-[2-(4-chloro-5-methylcyclopenta-1,4-dien-1-yl)propan-2-yl]-2-methylcyclopenta-1,3-diene;titanium?
The InChIKey is UOKICHXQSVAISO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2.Ti/c1-9-11(5-7-13(9)16)15(3,4)12-6-8-14(17)10(12)2;/h5-6H,7-8H2,1-4H3;.
What are the key properties of 1-chloro-3-[2-(4-chloro-5-methylcyclopenta-1,4-dien-1-yl)propan-2-yl]-2-methylcyclopenta-1,3-diene;titanium?
1-chloro-3-[2-(4-chloro-5-methylcyclopenta-1,4-dien-1-yl)propan-2-yl]-2-methylcyclopenta-1,3-diene;titanium has a molecular weight of 317.08 g/mol, XLogP of 5.70, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-[2-(4-chloro-5-methylcyclopenta-1,4-dien-1-yl)propan-2-yl]-2-methylcyclopenta-1,3-diene;titanium is sourced from PubChem (CID 87867199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).