5-tert-butyl-3a-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan

C12H22O — CID 58008514

IUPAC5-tert-butyl-3a-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan
SMILESCC(C)(C)C1CC2OCCC2(C)C1
InChIInChI=1S/C12H22O/c1-11(2,3)9-7-10-12(4,8-9)5-6-13-10/h9-10H,5-8H2,1-4H3
InChIKeyVXPBELMPMVWQMX-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.24
Rot. Bonds

About 5-tert-butyl-3a-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan

5-tert-butyl-3a-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan (PubChem CID 58008514) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 5-tert-butyl-3a-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan.

Molecular Properties

Compound Name5-tert-butyl-3a-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan
PubChem CID58008514
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name5-tert-butyl-3a-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan
SMILESCC(C)(C)C1CC2OCCC2(C)C1
InChIInChI=1S/C12H22O/c1-11(2,3)9-7-10-12(4,8-9)5-6-13-10/h9-10H,5-8H2,1-4H3
InChIKeyVXPBELMPMVWQMX-UHFFFAOYSA-N
XLogP3.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-tert-butyl-3a-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan 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-tert-butyl-3a-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan?
The IUPAC name of 5-tert-butyl-3a-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan (CID 58008514) is 5-tert-butyl-3a-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan.
What is the SMILES notation for 5-tert-butyl-3a-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan?
The canonical SMILES for 5-tert-butyl-3a-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan is CC(C)(C)C1CC2OCCC2(C)C1.
What is the InChIKey of 5-tert-butyl-3a-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan?
The InChIKey is VXPBELMPMVWQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-11(2,3)9-7-10-12(4,8-9)5-6-13-10/h9-10H,5-8H2,1-4H3.
What are the key properties of 5-tert-butyl-3a-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan?
5-tert-butyl-3a-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan has a molecular weight of 182.31 g/mol, XLogP of 3.24, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3a-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan is sourced from PubChem (CID 58008514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).