1-tert-butyl-2-propylsulfanylspiro[cyclopropene-3,9'-fluorene]

C22H24S — CID 15315865

IUPAC1-tert-butyl-2-propylsulfanylspiro[cyclopropene-3,9'-fluorene]
SMILESCCCSC1=C(C(C)(C)C)C12c1ccccc1-c1ccccc12
InChIInChI=1S/C22H24S/c1-5-14-23-20-19(21(2,3)4)22(20)17-12-8-6-10-15(17)16-11-7-9-13-18(16)22/h6-13H,5,14H2,1-4H3
InChIKeyAGFOMQRWDIYQPY-UHFFFAOYSA-N
MW320.50 g/mol
LogP6.41
Rot. Bonds3

About 1-tert-butyl-2-propylsulfanylspiro[cyclopropene-3,9'-fluorene]

1-tert-butyl-2-propylsulfanylspiro[cyclopropene-3,9'-fluorene] (PubChem CID 15315865) has the molecular formula C22H24S and a molecular weight of 320.50 g/mol. Its IUPAC name is 1-tert-butyl-2-propylsulfanylspiro[cyclopropene-3,9'-fluorene].

Molecular Properties

Compound Name1-tert-butyl-2-propylsulfanylspiro[cyclopropene-3,9'-fluorene]
PubChem CID15315865
Molecular FormulaC22H24S
Molecular Weight320.50 g/mol
Exact Mass320.16
IUPAC Name1-tert-butyl-2-propylsulfanylspiro[cyclopropene-3,9'-fluorene]
SMILESCCCSC1=C(C(C)(C)C)C12c1ccccc1-c1ccccc12
InChIInChI=1S/C22H24S/c1-5-14-23-20-19(21(2,3)4)22(20)17-12-8-6-10-15(17)16-11-7-9-13-18(16)22/h6-13H,5,14H2,1-4H3
InChIKeyAGFOMQRWDIYQPY-UHFFFAOYSA-N
XLogP6.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.50
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-propylsulfanylspiro[cyclopropene-3,9'-fluorene]?
The IUPAC name of 1-tert-butyl-2-propylsulfanylspiro[cyclopropene-3,9'-fluorene] (CID 15315865) is 1-tert-butyl-2-propylsulfanylspiro[cyclopropene-3,9'-fluorene].
What is the SMILES notation for 1-tert-butyl-2-propylsulfanylspiro[cyclopropene-3,9'-fluorene]?
The canonical SMILES for 1-tert-butyl-2-propylsulfanylspiro[cyclopropene-3,9'-fluorene] is CCCSC1=C(C(C)(C)C)C12c1ccccc1-c1ccccc12.
What is the InChIKey of 1-tert-butyl-2-propylsulfanylspiro[cyclopropene-3,9'-fluorene]?
The InChIKey is AGFOMQRWDIYQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24S/c1-5-14-23-20-19(21(2,3)4)22(20)17-12-8-6-10-15(17)16-11-7-9-13-18(16)22/h6-13H,5,14H2,1-4H3.
What are the key properties of 1-tert-butyl-2-propylsulfanylspiro[cyclopropene-3,9'-fluorene]?
1-tert-butyl-2-propylsulfanylspiro[cyclopropene-3,9'-fluorene] has a molecular weight of 320.50 g/mol, XLogP of 6.41, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-propylsulfanylspiro[cyclopropene-3,9'-fluorene] is sourced from PubChem (CID 15315865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).