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

C11H20O — CID 167376284

IUPAC3a-tert-butyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan
SMILESCC(C)(C)C12CCCC1OCC2
InChIInChI=1S/C11H20O/c1-10(2,3)11-6-4-5-9(11)12-8-7-11/h9H,4-8H2,1-3H3
InChIKeyAGQCVHWFHJORCX-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.99
Rot. Bonds

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

3a-tert-butyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan (PubChem CID 167376284) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 3a-tert-butyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan.

Molecular Properties

Compound Name3a-tert-butyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan
PubChem CID167376284
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name3a-tert-butyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan
SMILESCC(C)(C)C12CCCC1OCC2
InChIInChI=1S/C11H20O/c1-10(2,3)11-6-4-5-9(11)12-8-7-11/h9H,4-8H2,1-3H3
InChIKeyAGQCVHWFHJORCX-UHFFFAOYSA-N
XLogP2.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3a-tert-butyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan?
The IUPAC name of 3a-tert-butyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan (CID 167376284) is 3a-tert-butyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan.
What is the SMILES notation for 3a-tert-butyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan?
The canonical SMILES for 3a-tert-butyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan is CC(C)(C)C12CCCC1OCC2.
What is the InChIKey of 3a-tert-butyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan?
The InChIKey is AGQCVHWFHJORCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-10(2,3)11-6-4-5-9(11)12-8-7-11/h9H,4-8H2,1-3H3.
What are the key properties of 3a-tert-butyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan?
3a-tert-butyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan has a molecular weight of 168.28 g/mol, XLogP of 2.99, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3a-tert-butyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan is sourced from PubChem (CID 167376284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).