(3aR,4S,6aS)-4-propyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one

C9H14O3 — CID 15866454

IUPAC(3aR,4S,6aS)-4-propyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one
SMILESCCC[C@@H]1C(=O)O[C@@H]2OCC[C@@H]21
InChIInChI=1S/C9H14O3/c1-2-3-6-7-4-5-11-9(7)12-8(6)10/h6-7,9H,2-5H2,1H3/t6-,7+,9-/m0/s1
InChIKeyUDPZRMQLXVBWEQ-OOZYFLPDSA-N
MW170.21 g/mol
LogP1.32
Rot. Bonds2

About (3aR,4S,6aS)-4-propyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one

(3aR,4S,6aS)-4-propyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one (PubChem CID 15866454) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is (3aR,4S,6aS)-4-propyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one.

Molecular Properties

Compound Name(3aR,4S,6aS)-4-propyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one
PubChem CID15866454
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name(3aR,4S,6aS)-4-propyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one
SMILESCCC[C@@H]1C(=O)O[C@@H]2OCC[C@@H]21
InChIInChI=1S/C9H14O3/c1-2-3-6-7-4-5-11-9(7)12-8(6)10/h6-7,9H,2-5H2,1H3/t6-,7+,9-/m0/s1
InChIKeyUDPZRMQLXVBWEQ-OOZYFLPDSA-N
XLogP1.32
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3aR,4S,6aS)-4-propyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one with MolForge

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Related Compounds

(3As,6ar)-tetrahydrofuro[2,3-b]furan-2(3h)-one
CID 11829446
Furo[2,3-b]furan-2(3H)-one, tetrahydro-, cis-
CID 11018883
Hexahydrofuro[2,3-b]furan-2-one
CID 10964515
(2R,3R,3aR,6aR)-2,3-dimethyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one
CID 10964748
(3aR,6aS)-1-methoxy-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one
CID 15933477
[(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
(5-oxo-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-2-yl) acetate
CID 123405200
(3aR,6aS)-5,5-diethyl-3,3a,4,6a-tetrahydrofuro[2,3-b]furan-2-one
CID 134857963
(3aR,3bR,6aS,7aR)-hexahydrodifuro[2,3-b:3',2'-d]furan-2(3H)-one
CID 168304957
(1R,2R,6R,8S)-5,7,9-trioxatricyclo[6.4.0.0^2,6^]dodecan-4-one
CID 168304959
(1S,2R,6R,8R)-5,7,9-trioxatricyclo[6.3.0.0^2,6^]undecan-4-one
CID 168304960
InChI=1/C7H10O3/c1-4-5-2-3-9-7(5)10-6(4)8/h4-5,7H,2-3H2,1H
CID 11073525

Frequently Asked Questions

What is the IUPAC name of (3aR,4S,6aS)-4-propyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one?
The IUPAC name of (3aR,4S,6aS)-4-propyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one (CID 15866454) is (3aR,4S,6aS)-4-propyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one.
What is the SMILES notation for (3aR,4S,6aS)-4-propyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one?
The canonical SMILES for (3aR,4S,6aS)-4-propyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one is CCC[C@@H]1C(=O)O[C@@H]2OCC[C@@H]21.
What is the InChIKey of (3aR,4S,6aS)-4-propyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one?
The InChIKey is UDPZRMQLXVBWEQ-OOZYFLPDSA-N. The full InChI is InChI=1S/C9H14O3/c1-2-3-6-7-4-5-11-9(7)12-8(6)10/h6-7,9H,2-5H2,1H3/t6-,7+,9-/m0/s1.
What are the key properties of (3aR,4S,6aS)-4-propyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one?
(3aR,4S,6aS)-4-propyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one has a molecular weight of 170.21 g/mol, XLogP of 1.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,4S,6aS)-4-propyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one is sourced from PubChem (CID 15866454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).