6a-tert-butyl-3a,4-dihydro-3H-furo[2,3-b]furan-2,5-dione

C10H14O4 — CID 138967150

IUPAC6a-tert-butyl-3a,4-dihydro-3H-furo[2,3-b]furan-2,5-dione
SMILESCC(C)(C)C12OC(=O)CC1CC(=O)O2
InChIInChI=1S/C10H14O4/c1-9(2,3)10-6(4-7(11)13-10)5-8(12)14-10/h6H,4-5H2,1-3H3
InChIKeyDWAHNSNFMQFDSI-UHFFFAOYSA-N
MW198.22 g/mol
LogP1.24
Rot. Bonds

About 6a-tert-butyl-3a,4-dihydro-3H-furo[2,3-b]furan-2,5-dione

6a-tert-butyl-3a,4-dihydro-3H-furo[2,3-b]furan-2,5-dione (PubChem CID 138967150) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is 6a-tert-butyl-3a,4-dihydro-3H-furo[2,3-b]furan-2,5-dione.

Molecular Properties

Compound Name6a-tert-butyl-3a,4-dihydro-3H-furo[2,3-b]furan-2,5-dione
PubChem CID138967150
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Name6a-tert-butyl-3a,4-dihydro-3H-furo[2,3-b]furan-2,5-dione
SMILESCC(C)(C)C12OC(=O)CC1CC(=O)O2
InChIInChI=1S/C10H14O4/c1-9(2,3)10-6(4-7(11)13-10)5-8(12)14-10/h6H,4-5H2,1-3H3
InChIKeyDWAHNSNFMQFDSI-UHFFFAOYSA-N
XLogP1.24
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

(1R)-1,6,6-trimethyl-2-oxabicyclo[3.2.1]octan-3-one
CID 71394104
(3aS,5S,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-6a-methyl-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one
CID 25213394
10,10-dimethyl-2-oxatricyclo[6.3.0.01,5]undecan-3-one
CID 122443649
(5S,8S)-10,10-dimethyl-2-oxatricyclo[6.3.0.01,5]undecan-3-one
CID 122450983
4,5,5,6,6-pentamethyloxan-2-one
CID 134335471
(3aS,8bR)-8b-methyl-3a,4-dihydro-3H-indeno[1,2-b]furan-2-one
CID 11240906
(2R,3aR,6aS)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-6a-methyl-2,3,3a,4-tetrahydrofuro[2,3-b]furan-5-one
CID 155934217
(4S,5R)-5-hydroxy-4,6,6-trimethyloxan-2-one
CID 13412067
7-methyl-1,4-dioxaspiro[2.4]heptan-5-one
CID 535523
tert-butyl N-[(4R)-2-oxo-1-oxaspiro[4.5]decan-4-yl]carbamate
CID 124676210
1,4-ditert-butyl-2,5-dioxabicyclo[2.2.1]heptane-3,6-dione
CID 14172681
(3aR,9aS,9bR)-3a,9a-dimethyl-4,5,5a,6,7,8,9,9b-octahydro-1H-benzo[e][1]benzofuran-2-one
CID 143398960

Frequently Asked Questions

What is the IUPAC name of 6a-tert-butyl-3a,4-dihydro-3H-furo[2,3-b]furan-2,5-dione?
The IUPAC name of 6a-tert-butyl-3a,4-dihydro-3H-furo[2,3-b]furan-2,5-dione (CID 138967150) is 6a-tert-butyl-3a,4-dihydro-3H-furo[2,3-b]furan-2,5-dione.
What is the SMILES notation for 6a-tert-butyl-3a,4-dihydro-3H-furo[2,3-b]furan-2,5-dione?
The canonical SMILES for 6a-tert-butyl-3a,4-dihydro-3H-furo[2,3-b]furan-2,5-dione is CC(C)(C)C12OC(=O)CC1CC(=O)O2.
What is the InChIKey of 6a-tert-butyl-3a,4-dihydro-3H-furo[2,3-b]furan-2,5-dione?
The InChIKey is DWAHNSNFMQFDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4/c1-9(2,3)10-6(4-7(11)13-10)5-8(12)14-10/h6H,4-5H2,1-3H3.
What are the key properties of 6a-tert-butyl-3a,4-dihydro-3H-furo[2,3-b]furan-2,5-dione?
6a-tert-butyl-3a,4-dihydro-3H-furo[2,3-b]furan-2,5-dione has a molecular weight of 198.22 g/mol, XLogP of 1.24, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6a-tert-butyl-3a,4-dihydro-3H-furo[2,3-b]furan-2,5-dione is sourced from PubChem (CID 138967150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).