4'-chloro-2-methyl-5-(2-methylpropyl)spiro[cyclopentane-1,9'-fluorene]

C22H25Cl — CID 170104503

IUPAC4'-chloro-2-methyl-5-(2-methylpropyl)spiro[cyclopentane-1,9'-fluorene]
SMILESCC(C)CC1CCC(C)C12c1ccccc1-c1c(Cl)cccc12
InChIInChI=1S/C22H25Cl/c1-14(2)13-16-12-11-15(3)22(16)18-8-5-4-7-17(18)21-19(22)9-6-10-20(21)23/h4-10,14-16H,11-13H2,1-3H3
InChIKeyXOVHJCWIYROMTI-UHFFFAOYSA-N
MW324.90 g/mol
LogP6.70
Rot. Bonds2

About 4'-chloro-2-methyl-5-(2-methylpropyl)spiro[cyclopentane-1,9'-fluorene]

4'-chloro-2-methyl-5-(2-methylpropyl)spiro[cyclopentane-1,9'-fluorene] (PubChem CID 170104503) has the molecular formula C22H25Cl and a molecular weight of 324.90 g/mol. Its IUPAC name is 4'-chloro-2-methyl-5-(2-methylpropyl)spiro[cyclopentane-1,9'-fluorene].

Molecular Properties

Compound Name4'-chloro-2-methyl-5-(2-methylpropyl)spiro[cyclopentane-1,9'-fluorene]
PubChem CID170104503
Molecular FormulaC22H25Cl
Molecular Weight324.90 g/mol
Exact Mass324.16
IUPAC Name4'-chloro-2-methyl-5-(2-methylpropyl)spiro[cyclopentane-1,9'-fluorene]
SMILESCC(C)CC1CCC(C)C12c1ccccc1-c1c(Cl)cccc12
InChIInChI=1S/C22H25Cl/c1-14(2)13-16-12-11-15(3)22(16)18-8-5-4-7-17(18)21-19(22)9-6-10-20(21)23/h4-10,14-16H,11-13H2,1-3H3
InChIKeyXOVHJCWIYROMTI-UHFFFAOYSA-N
XLogP6.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.90
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4'-chloro-2-methyl-5-(2-methylpropyl)spiro[cyclopentane-1,9'-fluorene]?
The IUPAC name of 4'-chloro-2-methyl-5-(2-methylpropyl)spiro[cyclopentane-1,9'-fluorene] (CID 170104503) is 4'-chloro-2-methyl-5-(2-methylpropyl)spiro[cyclopentane-1,9'-fluorene].
What is the SMILES notation for 4'-chloro-2-methyl-5-(2-methylpropyl)spiro[cyclopentane-1,9'-fluorene]?
The canonical SMILES for 4'-chloro-2-methyl-5-(2-methylpropyl)spiro[cyclopentane-1,9'-fluorene] is CC(C)CC1CCC(C)C12c1ccccc1-c1c(Cl)cccc12.
What is the InChIKey of 4'-chloro-2-methyl-5-(2-methylpropyl)spiro[cyclopentane-1,9'-fluorene]?
The InChIKey is XOVHJCWIYROMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25Cl/c1-14(2)13-16-12-11-15(3)22(16)18-8-5-4-7-17(18)21-19(22)9-6-10-20(21)23/h4-10,14-16H,11-13H2,1-3H3.
What are the key properties of 4'-chloro-2-methyl-5-(2-methylpropyl)spiro[cyclopentane-1,9'-fluorene]?
4'-chloro-2-methyl-5-(2-methylpropyl)spiro[cyclopentane-1,9'-fluorene] has a molecular weight of 324.90 g/mol, XLogP of 6.70, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-chloro-2-methyl-5-(2-methylpropyl)spiro[cyclopentane-1,9'-fluorene] is sourced from PubChem (CID 170104503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).