5,7-ditert-butylspiro[4,6-dihydro-3H-cyclopenta[b]pyran-2,1'-cyclopentane]

C20H32O — CID 118461515

IUPAC5,7-ditert-butylspiro[4,6-dihydro-3H-cyclopenta[b]pyran-2,1'-cyclopentane]
SMILESCC(C)(C)C1=C2CCC3(CCCC3)OC2=C(C(C)(C)C)C1
InChIInChI=1S/C20H32O/c1-18(2,3)15-13-16(19(4,5)6)17-14(15)9-12-20(21-17)10-7-8-11-20/h7-13H2,1-6H3
InChIKeyOILORUGUUYEYCJ-UHFFFAOYSA-N
MW288.48 g/mol
LogP6.16
Rot. Bonds

About 5,7-ditert-butylspiro[4,6-dihydro-3H-cyclopenta[b]pyran-2,1'-cyclopentane]

5,7-ditert-butylspiro[4,6-dihydro-3H-cyclopenta[b]pyran-2,1'-cyclopentane] (PubChem CID 118461515) has the molecular formula C20H32O and a molecular weight of 288.48 g/mol. Its IUPAC name is 5,7-ditert-butylspiro[4,6-dihydro-3H-cyclopenta[b]pyran-2,1'-cyclopentane].

Molecular Properties

Compound Name5,7-ditert-butylspiro[4,6-dihydro-3H-cyclopenta[b]pyran-2,1'-cyclopentane]
PubChem CID118461515
Molecular FormulaC20H32O
Molecular Weight288.48 g/mol
Exact Mass288.25
IUPAC Name5,7-ditert-butylspiro[4,6-dihydro-3H-cyclopenta[b]pyran-2,1'-cyclopentane]
SMILESCC(C)(C)C1=C2CCC3(CCCC3)OC2=C(C(C)(C)C)C1
InChIInChI=1S/C20H32O/c1-18(2,3)15-13-16(19(4,5)6)17-14(15)9-12-20(21-17)10-7-8-11-20/h7-13H2,1-6H3
InChIKeyOILORUGUUYEYCJ-UHFFFAOYSA-N
XLogP6.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.48
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5,7-ditert-butylspiro[4,6-dihydro-3H-cyclopenta[b]pyran-2,1'-cyclopentane] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,7-ditert-butylspiro[4,6-dihydro-3H-cyclopenta[b]pyran-2,1'-cyclopentane]?
The IUPAC name of 5,7-ditert-butylspiro[4,6-dihydro-3H-cyclopenta[b]pyran-2,1'-cyclopentane] (CID 118461515) is 5,7-ditert-butylspiro[4,6-dihydro-3H-cyclopenta[b]pyran-2,1'-cyclopentane].
What is the SMILES notation for 5,7-ditert-butylspiro[4,6-dihydro-3H-cyclopenta[b]pyran-2,1'-cyclopentane]?
The canonical SMILES for 5,7-ditert-butylspiro[4,6-dihydro-3H-cyclopenta[b]pyran-2,1'-cyclopentane] is CC(C)(C)C1=C2CCC3(CCCC3)OC2=C(C(C)(C)C)C1.
What is the InChIKey of 5,7-ditert-butylspiro[4,6-dihydro-3H-cyclopenta[b]pyran-2,1'-cyclopentane]?
The InChIKey is OILORUGUUYEYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O/c1-18(2,3)15-13-16(19(4,5)6)17-14(15)9-12-20(21-17)10-7-8-11-20/h7-13H2,1-6H3.
What are the key properties of 5,7-ditert-butylspiro[4,6-dihydro-3H-cyclopenta[b]pyran-2,1'-cyclopentane]?
5,7-ditert-butylspiro[4,6-dihydro-3H-cyclopenta[b]pyran-2,1'-cyclopentane] has a molecular weight of 288.48 g/mol, XLogP of 6.16, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-ditert-butylspiro[4,6-dihydro-3H-cyclopenta[b]pyran-2,1'-cyclopentane] is sourced from PubChem (CID 118461515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).