4,6-ditert-butylspiro[4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-2,1'-cyclopentane]

C18H32O2 — CID 118144685

IUPAC4,6-ditert-butylspiro[4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-2,1'-cyclopentane]
SMILESCC(C)(C)C1CC(C(C)(C)C)C2OC3(CCCC3)OC21
InChIInChI=1S/C18H32O2/c1-16(2,3)12-11-13(17(4,5)6)15-14(12)19-18(20-15)9-7-8-10-18/h12-15H,7-11H2,1-6H3
InChIKeyITIFFBMZNOUUFC-UHFFFAOYSA-N
MW280.45 g/mol
LogP4.77
Rot. Bonds

About 4,6-ditert-butylspiro[4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-2,1'-cyclopentane]

4,6-ditert-butylspiro[4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-2,1'-cyclopentane] (PubChem CID 118144685) has the molecular formula C18H32O2 and a molecular weight of 280.45 g/mol. Its IUPAC name is 4,6-ditert-butylspiro[4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-2,1'-cyclopentane].

Molecular Properties

Compound Name4,6-ditert-butylspiro[4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-2,1'-cyclopentane]
PubChem CID118144685
Molecular FormulaC18H32O2
Molecular Weight280.45 g/mol
Exact Mass280.24
IUPAC Name4,6-ditert-butylspiro[4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-2,1'-cyclopentane]
SMILESCC(C)(C)C1CC(C(C)(C)C)C2OC3(CCCC3)OC21
InChIInChI=1S/C18H32O2/c1-16(2,3)12-11-13(17(4,5)6)15-14(12)19-18(20-15)9-7-8-10-18/h12-15H,7-11H2,1-6H3
InChIKeyITIFFBMZNOUUFC-UHFFFAOYSA-N
XLogP4.77
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.45
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4,6-ditert-butylspiro[4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-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 4,6-ditert-butylspiro[4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-2,1'-cyclopentane]?
The IUPAC name of 4,6-ditert-butylspiro[4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-2,1'-cyclopentane] (CID 118144685) is 4,6-ditert-butylspiro[4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-2,1'-cyclopentane].
What is the SMILES notation for 4,6-ditert-butylspiro[4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-2,1'-cyclopentane]?
The canonical SMILES for 4,6-ditert-butylspiro[4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-2,1'-cyclopentane] is CC(C)(C)C1CC(C(C)(C)C)C2OC3(CCCC3)OC21.
What is the InChIKey of 4,6-ditert-butylspiro[4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-2,1'-cyclopentane]?
The InChIKey is ITIFFBMZNOUUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O2/c1-16(2,3)12-11-13(17(4,5)6)15-14(12)19-18(20-15)9-7-8-10-18/h12-15H,7-11H2,1-6H3.
What are the key properties of 4,6-ditert-butylspiro[4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-2,1'-cyclopentane]?
4,6-ditert-butylspiro[4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-2,1'-cyclopentane] has a molecular weight of 280.45 g/mol, XLogP of 4.77, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-ditert-butylspiro[4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-2,1'-cyclopentane] is sourced from PubChem (CID 118144685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).