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

C18H24Cl2 — CID 87981778

IUPAC1-chloro-4-[2-(4-chloro-3-ethyl-2-methylcyclopenta-1,3-dien-1-yl)ethyl]-2-ethyl-3-methylcyclopenta-1,3-diene
SMILESCCC1=C(Cl)CC(CCC2=C(C)C(CC)=C(Cl)C2)=C1C
InChIInChI=1S/C18H24Cl2/c1-5-15-11(3)13(9-17(15)19)7-8-14-10-18(20)16(6-2)12(14)4/h5-10H2,1-4H3
InChIKeyMHSKDVZKRPCWTA-UHFFFAOYSA-N
MW311.30 g/mol
LogP7.01
Rot. Bonds5

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

1-chloro-4-[2-(4-chloro-3-ethyl-2-methylcyclopenta-1,3-dien-1-yl)ethyl]-2-ethyl-3-methylcyclopenta-1,3-diene (PubChem CID 87981778) has the molecular formula C18H24Cl2 and a molecular weight of 311.30 g/mol. Its IUPAC name is 1-chloro-4-[2-(4-chloro-3-ethyl-2-methylcyclopenta-1,3-dien-1-yl)ethyl]-2-ethyl-3-methylcyclopenta-1,3-diene.

Molecular Properties

Compound Name1-chloro-4-[2-(4-chloro-3-ethyl-2-methylcyclopenta-1,3-dien-1-yl)ethyl]-2-ethyl-3-methylcyclopenta-1,3-diene
PubChem CID87981778
Molecular FormulaC18H24Cl2
Molecular Weight311.30 g/mol
Exact Mass310.13
IUPAC Name1-chloro-4-[2-(4-chloro-3-ethyl-2-methylcyclopenta-1,3-dien-1-yl)ethyl]-2-ethyl-3-methylcyclopenta-1,3-diene
SMILESCCC1=C(Cl)CC(CCC2=C(C)C(CC)=C(Cl)C2)=C1C
InChIInChI=1S/C18H24Cl2/c1-5-15-11(3)13(9-17(15)19)7-8-14-10-18(20)16(6-2)12(14)4/h5-10H2,1-4H3
InChIKeyMHSKDVZKRPCWTA-UHFFFAOYSA-N
XLogP7.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.30
LogP ≤ 57.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

6-butyl-5-chloro-3-ethyl-2,7-dimethyl-4H-azepine
CID 123290817
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
2,3-diethyl-1,4-dimethylcyclohexa-1,3-diene
CID 142364149
3-ethyl-1-[2-(3-ethyl-2-methylcyclopenta-1,3-dien-1-yl)ethyl]-2-methylcyclopenta-1,3-diene
CID 22347909
3,6-diethyl-2,5-dimethyl-1,4-dihydropentalene;ethane;methane
CID 158813284
3-bromo-6-chloro-5-ethyl-7H-cyclopenta[b]pyridine
CID 162009542
3,6-diethyl-2,5-dimethyl-1,4-dihydropentalene;ethane;methane;propane
CID 159803320
1,2-dichlorocyclopropene
CID 20975380
4,7-dichloro-6-ethyl-2-methyl-1,5-dihydropyrrolo[2,3-b]azepine
CID 123892417
1-(2-chloroethyl)-2-methylcyclopropene
CID 13040279
1-butyl-2-ethyl-3-methylcyclopenta-1,3-diene
CID 139667512
1,2,3-triethylcyclopenta-1,3-diene;zirconium(3+);dichloride
CID 22987093

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[2-(4-chloro-3-ethyl-2-methylcyclopenta-1,3-dien-1-yl)ethyl]-2-ethyl-3-methylcyclopenta-1,3-diene?
The IUPAC name of 1-chloro-4-[2-(4-chloro-3-ethyl-2-methylcyclopenta-1,3-dien-1-yl)ethyl]-2-ethyl-3-methylcyclopenta-1,3-diene (CID 87981778) is 1-chloro-4-[2-(4-chloro-3-ethyl-2-methylcyclopenta-1,3-dien-1-yl)ethyl]-2-ethyl-3-methylcyclopenta-1,3-diene.
What is the SMILES notation for 1-chloro-4-[2-(4-chloro-3-ethyl-2-methylcyclopenta-1,3-dien-1-yl)ethyl]-2-ethyl-3-methylcyclopenta-1,3-diene?
The canonical SMILES for 1-chloro-4-[2-(4-chloro-3-ethyl-2-methylcyclopenta-1,3-dien-1-yl)ethyl]-2-ethyl-3-methylcyclopenta-1,3-diene is CCC1=C(Cl)CC(CCC2=C(C)C(CC)=C(Cl)C2)=C1C.
What is the InChIKey of 1-chloro-4-[2-(4-chloro-3-ethyl-2-methylcyclopenta-1,3-dien-1-yl)ethyl]-2-ethyl-3-methylcyclopenta-1,3-diene?
The InChIKey is MHSKDVZKRPCWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24Cl2/c1-5-15-11(3)13(9-17(15)19)7-8-14-10-18(20)16(6-2)12(14)4/h5-10H2,1-4H3.
What are the key properties of 1-chloro-4-[2-(4-chloro-3-ethyl-2-methylcyclopenta-1,3-dien-1-yl)ethyl]-2-ethyl-3-methylcyclopenta-1,3-diene?
1-chloro-4-[2-(4-chloro-3-ethyl-2-methylcyclopenta-1,3-dien-1-yl)ethyl]-2-ethyl-3-methylcyclopenta-1,3-diene has a molecular weight of 311.30 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-3-ethyl-2-methylcyclopenta-1,3-dien-1-yl)ethyl]-2-ethyl-3-methylcyclopenta-1,3-diene is sourced from PubChem (CID 87981778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).