1-chloro-2,3,4,5-tetramethylcyclopenta-1,3-diene

C9H13Cl — CID 170168273

IUPAC1-chloro-2,3,4,5-tetramethylcyclopenta-1,3-diene
SMILESCC1=C(C)C(C)C(Cl)=C1C
InChIInChI=1S/C9H13Cl/c1-5-6(2)8(4)9(10)7(5)3/h7H,1-4H3
InChIKeySOBLUWCMXPSMKP-UHFFFAOYSA-N
MW156.66 g/mol
LogP3.49
Rot. Bonds

About 1-chloro-2,3,4,5-tetramethylcyclopenta-1,3-diene

1-chloro-2,3,4,5-tetramethylcyclopenta-1,3-diene (PubChem CID 170168273) has the molecular formula C9H13Cl and a molecular weight of 156.66 g/mol. Its IUPAC name is 1-chloro-2,3,4,5-tetramethylcyclopenta-1,3-diene.

Molecular Properties

Compound Name1-chloro-2,3,4,5-tetramethylcyclopenta-1,3-diene
PubChem CID170168273
Molecular FormulaC9H13Cl
Molecular Weight156.66 g/mol
Exact Mass156.07
IUPAC Name1-chloro-2,3,4,5-tetramethylcyclopenta-1,3-diene
SMILESCC1=C(C)C(C)C(Cl)=C1C
InChIInChI=1S/C9H13Cl/c1-5-6(2)8(4)9(10)7(5)3/h7H,1-4H3
InChIKeySOBLUWCMXPSMKP-UHFFFAOYSA-N
XLogP3.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.66
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2,3,4,5-tetramethylcyclopenta-1,3-diene?
The IUPAC name of 1-chloro-2,3,4,5-tetramethylcyclopenta-1,3-diene (CID 170168273) is 1-chloro-2,3,4,5-tetramethylcyclopenta-1,3-diene.
What is the SMILES notation for 1-chloro-2,3,4,5-tetramethylcyclopenta-1,3-diene?
The canonical SMILES for 1-chloro-2,3,4,5-tetramethylcyclopenta-1,3-diene is CC1=C(C)C(C)C(Cl)=C1C.
What is the InChIKey of 1-chloro-2,3,4,5-tetramethylcyclopenta-1,3-diene?
The InChIKey is SOBLUWCMXPSMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13Cl/c1-5-6(2)8(4)9(10)7(5)3/h7H,1-4H3.
What are the key properties of 1-chloro-2,3,4,5-tetramethylcyclopenta-1,3-diene?
1-chloro-2,3,4,5-tetramethylcyclopenta-1,3-diene has a molecular weight of 156.66 g/mol, XLogP of 3.49, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2,3,4,5-tetramethylcyclopenta-1,3-diene is sourced from PubChem (CID 170168273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).