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

C10H16O3 — CID 12624888

IUPAC2-tert-butyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one
SMILESCC(C)(C)C1CC2CC(=O)OC2O1
InChIInChI=1S/C10H16O3/c1-10(2,3)7-4-6-5-8(11)13-9(6)12-7/h6-7,9H,4-5H2,1-3H3
InChIKeyKQNQMWQHUSPPNC-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.71
Rot. Bonds

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

2-tert-butyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one (PubChem CID 12624888) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 2-tert-butyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one.

Molecular Properties

Compound Name2-tert-butyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one
PubChem CID12624888
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name2-tert-butyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one
SMILESCC(C)(C)C1CC2CC(=O)OC2O1
InChIInChI=1S/C10H16O3/c1-10(2,3)7-4-6-5-8(11)13-9(6)12-7/h6-7,9H,4-5H2,1-3H3
InChIKeyKQNQMWQHUSPPNC-UHFFFAOYSA-N
XLogP1.71
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 ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Launch Full Analysis

Related Compounds

Neglectine A
CID 146683296
(2R,3aS,6aR)-2-cyclohexyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one
CID 10608517
(2R,3aS,6aR)-2-decyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one
CID 10587987
(3aS,6aR)-2-hexyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one
CID 10822437
(3aR,6aS)-2-cyclohexyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one
CID 76308693
(3aS,6aR)-2-decyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one
CID 76312389
(2S,3aR,6aR)-2-cyclohexyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one
CID 76326812
(2R,3R,3aR,6aR)-2,3-dimethyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one
CID 10964748
[(2R,3R,3aR,6aR)-3-tert-butyl-5-oxo-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-2-yl] acetate
CID 101536634
(3aR,6aS)-5,5-diethyl-3,3a,4,6a-tetrahydrofuro[2,3-b]furan-2-one
CID 134857963
ethyl 4-[(3aR,4S,6aS)-4-methyl-3,3a,5,6a-tetrahydro-2H-furo[2,3-b]furan-4-yl]butanoate
CID 134963780
methyl 2-[(3aR,5R,6R,6aR)-2,2-dimethyl-5-pentyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]acetate
CID 16664772

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one?
The IUPAC name of 2-tert-butyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one (CID 12624888) is 2-tert-butyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one.
What is the SMILES notation for 2-tert-butyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one?
The canonical SMILES for 2-tert-butyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one is CC(C)(C)C1CC2CC(=O)OC2O1.
What is the InChIKey of 2-tert-butyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one?
The InChIKey is KQNQMWQHUSPPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-10(2,3)7-4-6-5-8(11)13-9(6)12-7/h6-7,9H,4-5H2,1-3H3.
What are the key properties of 2-tert-butyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one?
2-tert-butyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one has a molecular weight of 184.23 g/mol, XLogP of 1.71, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one is sourced from PubChem (CID 12624888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).