(3aS,5S,6aS)-5-tert-butyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan

C11H20O — CID 58853131

IUPAC(3aS,5S,6aS)-5-tert-butyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan
SMILESCC(C)(C)[C@H]1C[C@H]2CCO[C@H]2C1
InChIInChI=1S/C11H20O/c1-11(2,3)9-6-8-4-5-12-10(8)7-9/h8-10H,4-7H2,1-3H3/t8-,9+,10+/m1/s1
InChIKeyACPCOUDFROHMOY-UTLUCORTSA-N
MW168.28 g/mol
LogP2.85
Rot. Bonds

About (3aS,5S,6aS)-5-tert-butyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan

(3aS,5S,6aS)-5-tert-butyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan (PubChem CID 58853131) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is (3aS,5S,6aS)-5-tert-butyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan.

Molecular Properties

Compound Name(3aS,5S,6aS)-5-tert-butyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan
PubChem CID58853131
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name(3aS,5S,6aS)-5-tert-butyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan
SMILESCC(C)(C)[C@H]1C[C@H]2CCO[C@H]2C1
InChIInChI=1S/C11H20O/c1-11(2,3)9-6-8-4-5-12-10(8)7-9/h8-10H,4-7H2,1-3H3/t8-,9+,10+/m1/s1
InChIKeyACPCOUDFROHMOY-UTLUCORTSA-N
XLogP2.85
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 ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3aS,5S,6aS)-5-tert-butyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan?
The IUPAC name of (3aS,5S,6aS)-5-tert-butyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan (CID 58853131) is (3aS,5S,6aS)-5-tert-butyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan.
What is the SMILES notation for (3aS,5S,6aS)-5-tert-butyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan?
The canonical SMILES for (3aS,5S,6aS)-5-tert-butyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan is CC(C)(C)[C@H]1C[C@H]2CCO[C@H]2C1.
What is the InChIKey of (3aS,5S,6aS)-5-tert-butyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan?
The InChIKey is ACPCOUDFROHMOY-UTLUCORTSA-N. The full InChI is InChI=1S/C11H20O/c1-11(2,3)9-6-8-4-5-12-10(8)7-9/h8-10H,4-7H2,1-3H3/t8-,9+,10+/m1/s1.
What are the key properties of (3aS,5S,6aS)-5-tert-butyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan?
(3aS,5S,6aS)-5-tert-butyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan has a molecular weight of 168.28 g/mol, XLogP of 2.85, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,5S,6aS)-5-tert-butyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan is sourced from PubChem (CID 58853131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).