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

C20H28Cl2Ti — CID 87581509

IUPAC1-chloro-5-[2-(2-chloro-1,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)ethyl]-2,3,4,5-tetramethylcyclopenta-1,3-diene;titanium
SMILESCC1=C(C)C(C)(CCC2(C)C(C)=C(C)C(C)=C2Cl)C(Cl)=C1C.[Ti]
InChIInChI=1S/C20H28Cl2.Ti/c1-11-13(3)17(21)19(7,15(11)5)9-10-20(8)16(6)12(2)14(4)18(20)22;/h9-10H2,1-8H3;
InChIKeyXTLHCDALEHSBFP-UHFFFAOYSA-N
MW387.22 g/mol
LogP7.50
Rot. Bonds3

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

1-chloro-5-[2-(2-chloro-1,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)ethyl]-2,3,4,5-tetramethylcyclopenta-1,3-diene;titanium (PubChem CID 87581509) has the molecular formula C20H28Cl2Ti and a molecular weight of 387.22 g/mol. Its IUPAC name is 1-chloro-5-[2-(2-chloro-1,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)ethyl]-2,3,4,5-tetramethylcyclopenta-1,3-diene;titanium.

Molecular Properties

Compound Name1-chloro-5-[2-(2-chloro-1,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)ethyl]-2,3,4,5-tetramethylcyclopenta-1,3-diene;titanium
PubChem CID87581509
Molecular FormulaC20H28Cl2Ti
Molecular Weight387.22 g/mol
Exact Mass386.10
IUPAC Name1-chloro-5-[2-(2-chloro-1,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)ethyl]-2,3,4,5-tetramethylcyclopenta-1,3-diene;titanium
SMILESCC1=C(C)C(C)(CCC2(C)C(C)=C(C)C(C)=C2Cl)C(Cl)=C1C.[Ti]
InChIInChI=1S/C20H28Cl2.Ti/c1-11-13(3)17(21)19(7,15(11)5)9-10-20(8)16(6)12(2)14(4)18(20)22;/h9-10H2,1-8H3;
InChIKeyXTLHCDALEHSBFP-UHFFFAOYSA-N
XLogP7.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.22
LogP ≤ 57.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-5-[2-(2-chloro-1,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)ethyl]-2,3,4,5-tetramethylcyclopenta-1,3-diene;titanium?
The IUPAC name of 1-chloro-5-[2-(2-chloro-1,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)ethyl]-2,3,4,5-tetramethylcyclopenta-1,3-diene;titanium (CID 87581509) is 1-chloro-5-[2-(2-chloro-1,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)ethyl]-2,3,4,5-tetramethylcyclopenta-1,3-diene;titanium.
What is the SMILES notation for 1-chloro-5-[2-(2-chloro-1,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)ethyl]-2,3,4,5-tetramethylcyclopenta-1,3-diene;titanium?
The canonical SMILES for 1-chloro-5-[2-(2-chloro-1,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)ethyl]-2,3,4,5-tetramethylcyclopenta-1,3-diene;titanium is CC1=C(C)C(C)(CCC2(C)C(C)=C(C)C(C)=C2Cl)C(Cl)=C1C.[Ti].
What is the InChIKey of 1-chloro-5-[2-(2-chloro-1,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)ethyl]-2,3,4,5-tetramethylcyclopenta-1,3-diene;titanium?
The InChIKey is XTLHCDALEHSBFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28Cl2.Ti/c1-11-13(3)17(21)19(7,15(11)5)9-10-20(8)16(6)12(2)14(4)18(20)22;/h9-10H2,1-8H3;.
What are the key properties of 1-chloro-5-[2-(2-chloro-1,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)ethyl]-2,3,4,5-tetramethylcyclopenta-1,3-diene;titanium?
1-chloro-5-[2-(2-chloro-1,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)ethyl]-2,3,4,5-tetramethylcyclopenta-1,3-diene;titanium has a molecular weight of 387.22 g/mol, XLogP of 7.50, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-5-[2-(2-chloro-1,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)ethyl]-2,3,4,5-tetramethylcyclopenta-1,3-diene;titanium is sourced from PubChem (CID 87581509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).