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

C19H26Cl2Ti — CID 87713855

IUPAC1-chloro-3-[2-(4-chloro-5-ethyl-2-methylcyclopenta-1,4-dien-1-yl)propan-2-yl]-2-ethyl-4-methylcyclopenta-1,3-diene;titanium
SMILESCCC1=C(Cl)CC(C)=C1C(C)(C)C1=C(C)CC(Cl)=C1CC.[Ti]
InChIInChI=1S/C19H26Cl2.Ti/c1-7-13-15(20)9-11(3)17(13)19(5,6)18-12(4)10-16(21)14(18)8-2;/h7-10H2,1-6H3;
InChIKeyUXLBSSYFDFOPAP-UHFFFAOYSA-N
MW373.19 g/mol
LogP7.26
Rot. Bonds4

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

1-chloro-3-[2-(4-chloro-5-ethyl-2-methylcyclopenta-1,4-dien-1-yl)propan-2-yl]-2-ethyl-4-methylcyclopenta-1,3-diene;titanium (PubChem CID 87713855) has the molecular formula C19H26Cl2Ti and a molecular weight of 373.19 g/mol. Its IUPAC name is 1-chloro-3-[2-(4-chloro-5-ethyl-2-methylcyclopenta-1,4-dien-1-yl)propan-2-yl]-2-ethyl-4-methylcyclopenta-1,3-diene;titanium.

Molecular Properties

Compound Name1-chloro-3-[2-(4-chloro-5-ethyl-2-methylcyclopenta-1,4-dien-1-yl)propan-2-yl]-2-ethyl-4-methylcyclopenta-1,3-diene;titanium
PubChem CID87713855
Molecular FormulaC19H26Cl2Ti
Molecular Weight373.19 g/mol
Exact Mass372.09
IUPAC Name1-chloro-3-[2-(4-chloro-5-ethyl-2-methylcyclopenta-1,4-dien-1-yl)propan-2-yl]-2-ethyl-4-methylcyclopenta-1,3-diene;titanium
SMILESCCC1=C(Cl)CC(C)=C1C(C)(C)C1=C(C)CC(Cl)=C1CC.[Ti]
InChIInChI=1S/C19H26Cl2.Ti/c1-7-13-15(20)9-11(3)17(13)19(5,6)18-12(4)10-16(21)14(18)8-2;/h7-10H2,1-6H3;
InChIKeyUXLBSSYFDFOPAP-UHFFFAOYSA-N
XLogP7.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.19
LogP ≤ 57.26
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-ethyl-2-methylcyclopenta-1,4-dien-1-yl)propan-2-yl]-2-ethyl-4-methylcyclopenta-1,3-diene;titanium?
The IUPAC name of 1-chloro-3-[2-(4-chloro-5-ethyl-2-methylcyclopenta-1,4-dien-1-yl)propan-2-yl]-2-ethyl-4-methylcyclopenta-1,3-diene;titanium (CID 87713855) is 1-chloro-3-[2-(4-chloro-5-ethyl-2-methylcyclopenta-1,4-dien-1-yl)propan-2-yl]-2-ethyl-4-methylcyclopenta-1,3-diene;titanium.
What is the SMILES notation for 1-chloro-3-[2-(4-chloro-5-ethyl-2-methylcyclopenta-1,4-dien-1-yl)propan-2-yl]-2-ethyl-4-methylcyclopenta-1,3-diene;titanium?
The canonical SMILES for 1-chloro-3-[2-(4-chloro-5-ethyl-2-methylcyclopenta-1,4-dien-1-yl)propan-2-yl]-2-ethyl-4-methylcyclopenta-1,3-diene;titanium is CCC1=C(Cl)CC(C)=C1C(C)(C)C1=C(C)CC(Cl)=C1CC.[Ti].
What is the InChIKey of 1-chloro-3-[2-(4-chloro-5-ethyl-2-methylcyclopenta-1,4-dien-1-yl)propan-2-yl]-2-ethyl-4-methylcyclopenta-1,3-diene;titanium?
The InChIKey is UXLBSSYFDFOPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26Cl2.Ti/c1-7-13-15(20)9-11(3)17(13)19(5,6)18-12(4)10-16(21)14(18)8-2;/h7-10H2,1-6H3;.
What are the key properties of 1-chloro-3-[2-(4-chloro-5-ethyl-2-methylcyclopenta-1,4-dien-1-yl)propan-2-yl]-2-ethyl-4-methylcyclopenta-1,3-diene;titanium?
1-chloro-3-[2-(4-chloro-5-ethyl-2-methylcyclopenta-1,4-dien-1-yl)propan-2-yl]-2-ethyl-4-methylcyclopenta-1,3-diene;titanium has a molecular weight of 373.19 g/mol, XLogP of 7.26, 4 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-ethyl-2-methylcyclopenta-1,4-dien-1-yl)propan-2-yl]-2-ethyl-4-methylcyclopenta-1,3-diene;titanium is sourced from PubChem (CID 87713855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).