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

C18H24Cl2 — CID 87982584

IUPAC1-chloro-5-[2-(2-chloro-3,4,5-trimethylcyclopenta-2,4-dien-1-yl)ethyl]-2,3,4-trimethylcyclopenta-1,3-diene
SMILESCC1=C(C)C(CCC2C(C)=C(C)C(C)=C2Cl)C(Cl)=C1C
InChIInChI=1S/C18H24Cl2/c1-9-11(3)15(17(19)13(9)5)7-8-16-12(4)10(2)14(6)18(16)20/h15-16H,7-8H2,1-6H3
InChIKeyMQOJXTYLHVRECA-UHFFFAOYSA-N
MW311.30 g/mol
LogP6.72
Rot. Bonds3

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

1-chloro-5-[2-(2-chloro-3,4,5-trimethylcyclopenta-2,4-dien-1-yl)ethyl]-2,3,4-trimethylcyclopenta-1,3-diene (PubChem CID 87982584) has the molecular formula C18H24Cl2 and a molecular weight of 311.30 g/mol. Its IUPAC name is 1-chloro-5-[2-(2-chloro-3,4,5-trimethylcyclopenta-2,4-dien-1-yl)ethyl]-2,3,4-trimethylcyclopenta-1,3-diene.

Molecular Properties

Compound Name1-chloro-5-[2-(2-chloro-3,4,5-trimethylcyclopenta-2,4-dien-1-yl)ethyl]-2,3,4-trimethylcyclopenta-1,3-diene
PubChem CID87982584
Molecular FormulaC18H24Cl2
Molecular Weight311.30 g/mol
Exact Mass310.13
IUPAC Name1-chloro-5-[2-(2-chloro-3,4,5-trimethylcyclopenta-2,4-dien-1-yl)ethyl]-2,3,4-trimethylcyclopenta-1,3-diene
SMILESCC1=C(C)C(CCC2C(C)=C(C)C(C)=C2Cl)C(Cl)=C1C
InChIInChI=1S/C18H24Cl2/c1-9-11(3)15(17(19)13(9)5)7-8-16-12(4)10(2)14(6)18(16)20/h15-16H,7-8H2,1-6H3
InChIKeyMQOJXTYLHVRECA-UHFFFAOYSA-N
XLogP6.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.30
LogP ≤ 56.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2,3,4,5-pentamethylcyclopenta-1,3-diene;trichlorotitanium
CID 74765453
(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)methylcyclohexane
CID 11985125
1-chloro-4-[2-(4-chloro-2,3,5-trimethylcyclopenta-1,3-dien-1-yl)ethyl]-2,3,5-trimethylcyclopenta-1,3-diene;titanium
CID 87981970
2-(dimethylamino)ethyl-dimethyl-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)ethyl]azanium
CID 22443856
2-(2,3-dimethylcycloprop-2-en-1-yl)ethanamine
CID 163544477
(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)phosphane
CID 59930622
bis(4-chloro-2,3,5-trimethylcyclopenta-1,4-dien-1-yl)silane
CID 173048016
CID 162352836
CID 162352836
1-[2-(2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-indene
CID 123969397
N-[2-(3-chloro-4-methylphenyl)ethyl]cyclopropanamine
CID 106818906
N-[(3-chloro-4-methylphenyl)methyl]cyclohexanamine
CID 63195272
N-[(3-chloro-4-methylphenyl)methyl]-1-methylpiperidin-4-amine
CID 106816236

Frequently Asked Questions

What is the IUPAC name of 1-chloro-5-[2-(2-chloro-3,4,5-trimethylcyclopenta-2,4-dien-1-yl)ethyl]-2,3,4-trimethylcyclopenta-1,3-diene?
The IUPAC name of 1-chloro-5-[2-(2-chloro-3,4,5-trimethylcyclopenta-2,4-dien-1-yl)ethyl]-2,3,4-trimethylcyclopenta-1,3-diene (CID 87982584) is 1-chloro-5-[2-(2-chloro-3,4,5-trimethylcyclopenta-2,4-dien-1-yl)ethyl]-2,3,4-trimethylcyclopenta-1,3-diene.
What is the SMILES notation for 1-chloro-5-[2-(2-chloro-3,4,5-trimethylcyclopenta-2,4-dien-1-yl)ethyl]-2,3,4-trimethylcyclopenta-1,3-diene?
The canonical SMILES for 1-chloro-5-[2-(2-chloro-3,4,5-trimethylcyclopenta-2,4-dien-1-yl)ethyl]-2,3,4-trimethylcyclopenta-1,3-diene is CC1=C(C)C(CCC2C(C)=C(C)C(C)=C2Cl)C(Cl)=C1C.
What is the InChIKey of 1-chloro-5-[2-(2-chloro-3,4,5-trimethylcyclopenta-2,4-dien-1-yl)ethyl]-2,3,4-trimethylcyclopenta-1,3-diene?
The InChIKey is MQOJXTYLHVRECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24Cl2/c1-9-11(3)15(17(19)13(9)5)7-8-16-12(4)10(2)14(6)18(16)20/h15-16H,7-8H2,1-6H3.
What are the key properties of 1-chloro-5-[2-(2-chloro-3,4,5-trimethylcyclopenta-2,4-dien-1-yl)ethyl]-2,3,4-trimethylcyclopenta-1,3-diene?
1-chloro-5-[2-(2-chloro-3,4,5-trimethylcyclopenta-2,4-dien-1-yl)ethyl]-2,3,4-trimethylcyclopenta-1,3-diene has a molecular weight of 311.30 g/mol, XLogP of 6.72, 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-3,4,5-trimethylcyclopenta-2,4-dien-1-yl)ethyl]-2,3,4-trimethylcyclopenta-1,3-diene is sourced from PubChem (CID 87982584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).