(3aS,7aS)-3,3a,5,7a-tetrahydrofuro[3,2-b]pyran-2-one

C7H8O3 — CID 14139064

IUPAC(3aS,7aS)-3,3a,5,7a-tetrahydrofuro[3,2-b]pyran-2-one
SMILESO=C1C[C@@H]2OCC=C[C@@H]2O1
InChIInChI=1S/C7H8O3/c8-7-4-6-5(10-7)2-1-3-9-6/h1-2,5-6H,3-4H2/t5-,6-/m0/s1
InChIKeyWCQRYYZUPNSSCS-WDSKDSINSA-N
MW140.14 g/mol
LogP0.26
Rot. Bonds

About (3aS,7aS)-3,3a,5,7a-tetrahydrofuro[3,2-b]pyran-2-one

(3aS,7aS)-3,3a,5,7a-tetrahydrofuro[3,2-b]pyran-2-one (PubChem CID 14139064) has the molecular formula C7H8O3 and a molecular weight of 140.14 g/mol. Its IUPAC name is (3aS,7aS)-3,3a,5,7a-tetrahydrofuro[3,2-b]pyran-2-one.

Molecular Properties

Compound Name(3aS,7aS)-3,3a,5,7a-tetrahydrofuro[3,2-b]pyran-2-one
PubChem CID14139064
Molecular FormulaC7H8O3
Molecular Weight140.14 g/mol
Exact Mass140.05
IUPAC Name(3aS,7aS)-3,3a,5,7a-tetrahydrofuro[3,2-b]pyran-2-one
SMILESO=C1C[C@@H]2OCC=C[C@@H]2O1
InChIInChI=1S/C7H8O3/c8-7-4-6-5(10-7)2-1-3-9-6/h1-2,5-6H,3-4H2/t5-,6-/m0/s1
InChIKeyWCQRYYZUPNSSCS-WDSKDSINSA-N
XLogP0.26
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1S,5S,8Z,11R,14S)-14-ethoxy-5-methyl-4,15-dioxabicyclo[9.3.1]pentadeca-8,12-dien-3-one
CID 73355091
(3aS,5R,7aS)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,3a,5,7a-tetrahydrofuro[3,2-b]pyran-2-one
CID 44519220
(3aS,5R,7aS)-2-oxo-3,3a,5,7a-tetrahydrofuro[3,2-b]pyran-5-carbaldehyde
CID 44519379
(3aS,5R,7aS)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-3,3a,5,7a-tetrahydrofuro[3,2-b]pyran-2-one
CID 135017685
Dihydrofuropyran-2-one
CID 171665631
4-Geraniloxy-gamma-valeroladone
CID 91748426
[(E)-3-[(2R,3R,7S,7aS)-3-acetyloxy-7-methyl-5-oxo-2,3,7,7a-tetrahydrofuro[3,4-b]pyran-2-yl]prop-2-enyl] acetate
CID 118146615
ethyl (Z)-3-[(2R,3R,7S,7aS)-3-acetyloxy-7-methyl-5-oxo-2,3,7,7a-tetrahydrofuro[3,4-b]pyran-2-yl]prop-2-enoate
CID 122634586
3-(3-Acetyloxy-7-methyl-5-oxo-2,3,7,7a-tetrahydrofuro[3,4-b]pyran-2-yl)prop-2-enyl acetate
CID 123827256
methyl 2-[(2S)-3,6-dihydro-2H-pyran-2-yl]acetate
CID 172560729
methyl 2-(3,6-dihydro-2H-pyran-2-yl)acetate
CID 176157948
(3aS,5S,7aR)-7-bromo-5-methyl-3,3a,5,7a-tetrahydrofuro[3,2-b]pyran-2-one
CID 10082697

Frequently Asked Questions

What is the IUPAC name of (3aS,7aS)-3,3a,5,7a-tetrahydrofuro[3,2-b]pyran-2-one?
The IUPAC name of (3aS,7aS)-3,3a,5,7a-tetrahydrofuro[3,2-b]pyran-2-one (CID 14139064) is (3aS,7aS)-3,3a,5,7a-tetrahydrofuro[3,2-b]pyran-2-one.
What is the SMILES notation for (3aS,7aS)-3,3a,5,7a-tetrahydrofuro[3,2-b]pyran-2-one?
The canonical SMILES for (3aS,7aS)-3,3a,5,7a-tetrahydrofuro[3,2-b]pyran-2-one is O=C1C[C@@H]2OCC=C[C@@H]2O1.
What is the InChIKey of (3aS,7aS)-3,3a,5,7a-tetrahydrofuro[3,2-b]pyran-2-one?
The InChIKey is WCQRYYZUPNSSCS-WDSKDSINSA-N. The full InChI is InChI=1S/C7H8O3/c8-7-4-6-5(10-7)2-1-3-9-6/h1-2,5-6H,3-4H2/t5-,6-/m0/s1.
What are the key properties of (3aS,7aS)-3,3a,5,7a-tetrahydrofuro[3,2-b]pyran-2-one?
(3aS,7aS)-3,3a,5,7a-tetrahydrofuro[3,2-b]pyran-2-one has a molecular weight of 140.14 g/mol, XLogP of 0.26, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,7aS)-3,3a,5,7a-tetrahydrofuro[3,2-b]pyran-2-one is sourced from PubChem (CID 14139064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).