(3aR,6aS)-spiro[3,3a,6,6a-tetrahydrofuro[2,3-c]furan-4,2'-oxane]-2-one

C10H14O4 — CID 134844320

IUPAC(3aR,6aS)-spiro[3,3a,6,6a-tetrahydrofuro[2,3-c]furan-4,2'-oxane]-2-one
SMILESO=C1C[C@@H]2[C@@H](COC23CCCCO3)O1
InChIInChI=1S/C10H14O4/c11-9-5-7-8(14-9)6-13-10(7)3-1-2-4-12-10/h7-8H,1-6H2/t7-,8-,10?/m1/s1
InChIKeyCXTMDRVCDJRWGX-SZBHIRRCSA-N
MW198.22 g/mol
LogP0.85
Rot. Bonds

About (3aR,6aS)-spiro[3,3a,6,6a-tetrahydrofuro[2,3-c]furan-4,2'-oxane]-2-one

(3aR,6aS)-spiro[3,3a,6,6a-tetrahydrofuro[2,3-c]furan-4,2'-oxane]-2-one (PubChem CID 134844320) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is (3aR,6aS)-spiro[3,3a,6,6a-tetrahydrofuro[2,3-c]furan-4,2'-oxane]-2-one.

Molecular Properties

Compound Name(3aR,6aS)-spiro[3,3a,6,6a-tetrahydrofuro[2,3-c]furan-4,2'-oxane]-2-one
PubChem CID134844320
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Name(3aR,6aS)-spiro[3,3a,6,6a-tetrahydrofuro[2,3-c]furan-4,2'-oxane]-2-one
SMILESO=C1C[C@@H]2[C@@H](COC23CCCCO3)O1
InChIInChI=1S/C10H14O4/c11-9-5-7-8(14-9)6-13-10(7)3-1-2-4-12-10/h7-8H,1-6H2/t7-,8-,10?/m1/s1
InChIKeyCXTMDRVCDJRWGX-SZBHIRRCSA-N
XLogP0.85
TPSA44.76 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 ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3aR,6aS)-spiro[3,3a,6,6a-tetrahydrofuro[2,3-c]furan-4,2'-oxane]-2-one with MolForge

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Related Compounds

3-[(5R,8R,10R)-8-[(2S)-2-methyl-5-oxooxolan-2-yl]-2-oxo-1,3,9-trioxaspiro[4.5]decan-10-yl]propanal
CID 53360796
(2R,5S)-spiro[3,6-dioxabicyclo[3.2.1]octane-2,2'-oxane]-7-one
CID 101498257
(2S,5S)-spiro[3,6-dioxabicyclo[3.2.1]octane-2,2'-oxane]-7-one
CID 101498258
(1S,4R,7S,8R)-1-methyl-2,5,9-trioxatricyclo[5.2.1.04,8]decan-6-one
CID 132572203
No. 2106 A
CID 139586228
methyl 2-[(3aR,5R,6R,6aR)-5-hexyl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]acetate
CID 16664648
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
methyl 2-[(3aR,5R,6R,6aR)-5-heptyl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]acetate
CID 16664773
6-Propyl-3,3a,6,6a-tetrahydrofuro[3,4-b]furan-2,4-dione
CID 70622271
4-Propyl-5-(2,2,5-trimethyl-1,3-dioxolan-4-yl)oxolan-2-one
CID 71165805
ethyl 2-[(3R,3aR,6aR)-3-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]acetate
CID 118424603
5,9-Dioxatricyclo[5.2.1.04,8]decan-6-one
CID 123240805

Frequently Asked Questions

What is the IUPAC name of (3aR,6aS)-spiro[3,3a,6,6a-tetrahydrofuro[2,3-c]furan-4,2'-oxane]-2-one?
The IUPAC name of (3aR,6aS)-spiro[3,3a,6,6a-tetrahydrofuro[2,3-c]furan-4,2'-oxane]-2-one (CID 134844320) is (3aR,6aS)-spiro[3,3a,6,6a-tetrahydrofuro[2,3-c]furan-4,2'-oxane]-2-one.
What is the SMILES notation for (3aR,6aS)-spiro[3,3a,6,6a-tetrahydrofuro[2,3-c]furan-4,2'-oxane]-2-one?
The canonical SMILES for (3aR,6aS)-spiro[3,3a,6,6a-tetrahydrofuro[2,3-c]furan-4,2'-oxane]-2-one is O=C1C[C@@H]2[C@@H](COC23CCCCO3)O1.
What is the InChIKey of (3aR,6aS)-spiro[3,3a,6,6a-tetrahydrofuro[2,3-c]furan-4,2'-oxane]-2-one?
The InChIKey is CXTMDRVCDJRWGX-SZBHIRRCSA-N. The full InChI is InChI=1S/C10H14O4/c11-9-5-7-8(14-9)6-13-10(7)3-1-2-4-12-10/h7-8H,1-6H2/t7-,8-,10?/m1/s1.
What are the key properties of (3aR,6aS)-spiro[3,3a,6,6a-tetrahydrofuro[2,3-c]furan-4,2'-oxane]-2-one?
(3aR,6aS)-spiro[3,3a,6,6a-tetrahydrofuro[2,3-c]furan-4,2'-oxane]-2-one has a molecular weight of 198.22 g/mol, XLogP of 0.85, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aS)-spiro[3,3a,6,6a-tetrahydrofuro[2,3-c]furan-4,2'-oxane]-2-one is sourced from PubChem (CID 134844320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).