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

C18H24Cl2Ti — CID 87865727

IUPAC1-chloro-4-[2-(4-chloro-2-ethyl-3-methylcyclopenta-1,3-dien-1-yl)ethyl]-3-ethyl-2-methylcyclopenta-1,3-diene;titanium
SMILESCCC1=C(CCC2=C(CC)C(C)=C(Cl)C2)CC(Cl)=C1C.[Ti]
InChIInChI=1S/C18H24Cl2.Ti/c1-5-15-11(3)17(19)9-13(15)7-8-14-10-18(20)12(4)16(14)6-2;/h5-10H2,1-4H3;
InChIKeyHQMDGCCSRTXTNJ-UHFFFAOYSA-N
MW359.16 g/mol
LogP7.01
Rot. Bonds5

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

1-chloro-4-[2-(4-chloro-2-ethyl-3-methylcyclopenta-1,3-dien-1-yl)ethyl]-3-ethyl-2-methylcyclopenta-1,3-diene;titanium (PubChem CID 87865727) has the molecular formula C18H24Cl2Ti and a molecular weight of 359.16 g/mol. Its IUPAC name is 1-chloro-4-[2-(4-chloro-2-ethyl-3-methylcyclopenta-1,3-dien-1-yl)ethyl]-3-ethyl-2-methylcyclopenta-1,3-diene;titanium.

Molecular Properties

Compound Name1-chloro-4-[2-(4-chloro-2-ethyl-3-methylcyclopenta-1,3-dien-1-yl)ethyl]-3-ethyl-2-methylcyclopenta-1,3-diene;titanium
PubChem CID87865727
Molecular FormulaC18H24Cl2Ti
Molecular Weight359.16 g/mol
Exact Mass358.07
IUPAC Name1-chloro-4-[2-(4-chloro-2-ethyl-3-methylcyclopenta-1,3-dien-1-yl)ethyl]-3-ethyl-2-methylcyclopenta-1,3-diene;titanium
SMILESCCC1=C(CCC2=C(CC)C(C)=C(Cl)C2)CC(Cl)=C1C.[Ti]
InChIInChI=1S/C18H24Cl2.Ti/c1-5-15-11(3)17(19)9-13(15)7-8-14-10-18(20)12(4)16(14)6-2;/h5-10H2,1-4H3;
InChIKeyHQMDGCCSRTXTNJ-UHFFFAOYSA-N
XLogP7.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.16
LogP ≤ 57.01
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-ethyl-3-methylcyclopenta-1,3-dien-1-yl)ethyl]-3-ethyl-2-methylcyclopenta-1,3-diene;titanium?
The IUPAC name of 1-chloro-4-[2-(4-chloro-2-ethyl-3-methylcyclopenta-1,3-dien-1-yl)ethyl]-3-ethyl-2-methylcyclopenta-1,3-diene;titanium (CID 87865727) is 1-chloro-4-[2-(4-chloro-2-ethyl-3-methylcyclopenta-1,3-dien-1-yl)ethyl]-3-ethyl-2-methylcyclopenta-1,3-diene;titanium.
What is the SMILES notation for 1-chloro-4-[2-(4-chloro-2-ethyl-3-methylcyclopenta-1,3-dien-1-yl)ethyl]-3-ethyl-2-methylcyclopenta-1,3-diene;titanium?
The canonical SMILES for 1-chloro-4-[2-(4-chloro-2-ethyl-3-methylcyclopenta-1,3-dien-1-yl)ethyl]-3-ethyl-2-methylcyclopenta-1,3-diene;titanium is CCC1=C(CCC2=C(CC)C(C)=C(Cl)C2)CC(Cl)=C1C.[Ti].
What is the InChIKey of 1-chloro-4-[2-(4-chloro-2-ethyl-3-methylcyclopenta-1,3-dien-1-yl)ethyl]-3-ethyl-2-methylcyclopenta-1,3-diene;titanium?
The InChIKey is HQMDGCCSRTXTNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24Cl2.Ti/c1-5-15-11(3)17(19)9-13(15)7-8-14-10-18(20)12(4)16(14)6-2;/h5-10H2,1-4H3;.
What are the key properties of 1-chloro-4-[2-(4-chloro-2-ethyl-3-methylcyclopenta-1,3-dien-1-yl)ethyl]-3-ethyl-2-methylcyclopenta-1,3-diene;titanium?
1-chloro-4-[2-(4-chloro-2-ethyl-3-methylcyclopenta-1,3-dien-1-yl)ethyl]-3-ethyl-2-methylcyclopenta-1,3-diene;titanium has a molecular weight of 359.16 g/mol, XLogP of 7.01, 5 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-ethyl-3-methylcyclopenta-1,3-dien-1-yl)ethyl]-3-ethyl-2-methylcyclopenta-1,3-diene;titanium is sourced from PubChem (CID 87865727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).