1-[(4R)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl]propan-2-one

C9H14O3 — CID 142033867

IUPAC1-[(4R)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl]propan-2-one
SMILESCC(=O)C[C@H]1COC2OCCC21
InChIInChI=1S/C9H14O3/c1-6(10)4-7-5-12-9-8(7)2-3-11-9/h7-9H,2-5H2,1H3/t7-,8?,9?/m0/s1
InChIKeyXOQILZTWNIBYBP-UEJVZZJDSA-N
MW170.21 g/mol
LogP0.97
Rot. Bonds2

About 1-[(4R)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl]propan-2-one

1-[(4R)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl]propan-2-one (PubChem CID 142033867) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is 1-[(4R)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl]propan-2-one.

Molecular Properties

Compound Name1-[(4R)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl]propan-2-one
PubChem CID142033867
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name1-[(4R)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl]propan-2-one
SMILESCC(=O)C[C@H]1COC2OCCC21
InChIInChI=1S/C9H14O3/c1-6(10)4-7-5-12-9-8(7)2-3-11-9/h7-9H,2-5H2,1H3/t7-,8?,9?/m0/s1
InChIKeyXOQILZTWNIBYBP-UEJVZZJDSA-N
XLogP0.97
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 ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(4R)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl]propan-2-one with MolForge

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Launch Full Analysis

Related Compounds

Neglectine A
CID 146683296
(2R,3R,3aR,6aR)-2,3-dimethyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one
CID 10964748
2-[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl]acetaldehyde
CID 89602986
1-[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl]propan-2-one
CID 89603119
Ethyl 2-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl)acetate
CID 118544513
4-(2-Methoxyoxolan-3-yl)pentan-2-one
CID 13860606
ethyl 2-[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl]acetate
CID 15547140
(3aR,4S,6aS)-4-propyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one
CID 15866454
(3aS,6aR)-3-methoxy-1,3,3a,4,5,6a-hexahydrocyclopenta[c]furan-6-one
CID 15934583
ethyl 2-[(3aR,4S,6aS)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl]acetate
CID 101165792
(2S,5R,8S)-2-methyl-4,6-dioxatricyclo[6.3.0.01,5]undecan-10-one
CID 102381993
(3aS,6aR)-6a-(2-oxopropyl)-2,3,3a,4-tetrahydrofuro[2,3-b]furan-5-one
CID 102496597

Frequently Asked Questions

What is the IUPAC name of 1-[(4R)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl]propan-2-one?
The IUPAC name of 1-[(4R)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl]propan-2-one (CID 142033867) is 1-[(4R)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl]propan-2-one.
What is the SMILES notation for 1-[(4R)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl]propan-2-one?
The canonical SMILES for 1-[(4R)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl]propan-2-one is CC(=O)C[C@H]1COC2OCCC21.
What is the InChIKey of 1-[(4R)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl]propan-2-one?
The InChIKey is XOQILZTWNIBYBP-UEJVZZJDSA-N. The full InChI is InChI=1S/C9H14O3/c1-6(10)4-7-5-12-9-8(7)2-3-11-9/h7-9H,2-5H2,1H3/t7-,8?,9?/m0/s1.
What are the key properties of 1-[(4R)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl]propan-2-one?
1-[(4R)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl]propan-2-one has a molecular weight of 170.21 g/mol, XLogP of 0.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl]propan-2-one is sourced from PubChem (CID 142033867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).