3-tert-butyl-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-6-one

C10H16O3 — CID 169322503

IUPAC3-tert-butyl-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-6-one
SMILESCC(C)(C)C1COC2C(=O)COC21
InChIInChI=1S/C10H16O3/c1-10(2,3)6-4-12-9-7(11)5-13-8(6)9/h6,8-9H,4-5H2,1-3H3
InChIKeyZQHFYJBDVCVILG-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.02
Rot. Bonds

About 3-tert-butyl-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-6-one

3-tert-butyl-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-6-one (PubChem CID 169322503) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 3-tert-butyl-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-6-one.

Molecular Properties

Compound Name3-tert-butyl-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-6-one
PubChem CID169322503
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name3-tert-butyl-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-6-one
SMILESCC(C)(C)C1COC2C(=O)COC21
InChIInChI=1S/C10H16O3/c1-10(2,3)6-4-12-9-7(11)5-13-8(6)9/h6,8-9H,4-5H2,1-3H3
InChIKeyZQHFYJBDVCVILG-UHFFFAOYSA-N
XLogP1.02
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,3aR,6R,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol;(3R,3aS,6aR)-3-hydroxy-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-6-one
CID 66771978
6-tert-butyl-3-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;ethane
CID 145421576
(3aS,6S,6aS)-4-tert-butyl-6-fluoro-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-3-one;methane
CID 157473658
cis-(2S,3S)-3-tert-butyl-2-phenylcyclobutan-1-one
CID 101134635
(3R)-3-tert-butyl-2,3-dihydroinden-1-one
CID 158775656
4,5-ditert-butylcyclohex-2-en-1-one
CID 58849833
lithium (4S)-4-tert-butyl-1,3-oxazolidin-3-id-2-one
CID 11804924
(3aR,6aR)-3-methyl-6-methylidene-2,3,3a,6a-tetrahydrofuro[3,2-b]furan
CID 163761587
3-tert-butyl-2,3-dihydropyran-6-one
CID 162773146
4-tert-butyl-2-phenyl-1,3-dioxolane
CID 13289090
4-(benzenesulfonyl)-6-methyloxan-3-one
CID 101176017
(4S,5R)-2-tert-butyloxane-3,4,5-triol
CID 118459215

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-6-one?
The IUPAC name of 3-tert-butyl-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-6-one (CID 169322503) is 3-tert-butyl-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-6-one.
What is the SMILES notation for 3-tert-butyl-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-6-one?
The canonical SMILES for 3-tert-butyl-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-6-one is CC(C)(C)C1COC2C(=O)COC21.
What is the InChIKey of 3-tert-butyl-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-6-one?
The InChIKey is ZQHFYJBDVCVILG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-10(2,3)6-4-12-9-7(11)5-13-8(6)9/h6,8-9H,4-5H2,1-3H3.
What are the key properties of 3-tert-butyl-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-6-one?
3-tert-butyl-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-6-one has a molecular weight of 184.23 g/mol, XLogP of 1.02, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-6-one is sourced from PubChem (CID 169322503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).