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

C19H26Cl2Ti — CID 87319493

IUPAC1-chloro-4-[2-(4-chloro-2,3,5-trimethylcyclopenta-1,3-dien-1-yl)propan-2-yl]-2,3,5-trimethylcyclopenta-1,3-diene;titanium
SMILESCC1=C(Cl)C(C)C(C(C)(C)C2=C(C)C(C)=C(Cl)C2C)=C1C.[Ti]
InChIInChI=1S/C19H26Cl2.Ti/c1-9-11(3)17(20)13(5)15(9)19(7,8)16-10(2)12(4)18(21)14(16)6;/h13-14H,1-8H3;
InChIKeyLYFLGXSCKFGYGW-UHFFFAOYSA-N
MW373.19 g/mol
LogP6.97
Rot. Bonds2

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

1-chloro-4-[2-(4-chloro-2,3,5-trimethylcyclopenta-1,3-dien-1-yl)propan-2-yl]-2,3,5-trimethylcyclopenta-1,3-diene;titanium (PubChem CID 87319493) has the molecular formula C19H26Cl2Ti and a molecular weight of 373.19 g/mol. Its IUPAC name is 1-chloro-4-[2-(4-chloro-2,3,5-trimethylcyclopenta-1,3-dien-1-yl)propan-2-yl]-2,3,5-trimethylcyclopenta-1,3-diene;titanium.

Molecular Properties

Compound Name1-chloro-4-[2-(4-chloro-2,3,5-trimethylcyclopenta-1,3-dien-1-yl)propan-2-yl]-2,3,5-trimethylcyclopenta-1,3-diene;titanium
PubChem CID87319493
Molecular FormulaC19H26Cl2Ti
Molecular Weight373.19 g/mol
Exact Mass372.09
IUPAC Name1-chloro-4-[2-(4-chloro-2,3,5-trimethylcyclopenta-1,3-dien-1-yl)propan-2-yl]-2,3,5-trimethylcyclopenta-1,3-diene;titanium
SMILESCC1=C(Cl)C(C)C(C(C)(C)C2=C(C)C(C)=C(Cl)C2C)=C1C.[Ti]
InChIInChI=1S/C19H26Cl2.Ti/c1-9-11(3)17(20)13(5)15(9)19(7,8)16-10(2)12(4)18(21)14(16)6;/h13-14H,1-8H3;
InChIKeyLYFLGXSCKFGYGW-UHFFFAOYSA-N
XLogP6.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.19
LogP ≤ 56.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[2-(4-chloro-2,3,5-trimethylcyclopenta-1,3-dien-1-yl)propan-2-yl]-2,3,5-trimethylcyclopenta-1,3-diene;titanium?
The IUPAC name of 1-chloro-4-[2-(4-chloro-2,3,5-trimethylcyclopenta-1,3-dien-1-yl)propan-2-yl]-2,3,5-trimethylcyclopenta-1,3-diene;titanium (CID 87319493) is 1-chloro-4-[2-(4-chloro-2,3,5-trimethylcyclopenta-1,3-dien-1-yl)propan-2-yl]-2,3,5-trimethylcyclopenta-1,3-diene;titanium.
What is the SMILES notation for 1-chloro-4-[2-(4-chloro-2,3,5-trimethylcyclopenta-1,3-dien-1-yl)propan-2-yl]-2,3,5-trimethylcyclopenta-1,3-diene;titanium?
The canonical SMILES for 1-chloro-4-[2-(4-chloro-2,3,5-trimethylcyclopenta-1,3-dien-1-yl)propan-2-yl]-2,3,5-trimethylcyclopenta-1,3-diene;titanium is CC1=C(Cl)C(C)C(C(C)(C)C2=C(C)C(C)=C(Cl)C2C)=C1C.[Ti].
What is the InChIKey of 1-chloro-4-[2-(4-chloro-2,3,5-trimethylcyclopenta-1,3-dien-1-yl)propan-2-yl]-2,3,5-trimethylcyclopenta-1,3-diene;titanium?
The InChIKey is LYFLGXSCKFGYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26Cl2.Ti/c1-9-11(3)17(20)13(5)15(9)19(7,8)16-10(2)12(4)18(21)14(16)6;/h13-14H,1-8H3;.
What are the key properties of 1-chloro-4-[2-(4-chloro-2,3,5-trimethylcyclopenta-1,3-dien-1-yl)propan-2-yl]-2,3,5-trimethylcyclopenta-1,3-diene;titanium?
1-chloro-4-[2-(4-chloro-2,3,5-trimethylcyclopenta-1,3-dien-1-yl)propan-2-yl]-2,3,5-trimethylcyclopenta-1,3-diene;titanium has a molecular weight of 373.19 g/mol, XLogP of 6.97, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[2-(4-chloro-2,3,5-trimethylcyclopenta-1,3-dien-1-yl)propan-2-yl]-2,3,5-trimethylcyclopenta-1,3-diene;titanium is sourced from PubChem (CID 87319493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).