3,3a,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-ol

C7H10O2 — CID 130152044

IUPAC3,3a,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-ol
SMILESOC1OCC2CC=CC21
InChIInChI=1S/C7H10O2/c8-7-6-3-1-2-5(6)4-9-7/h1,3,5-8H,2,4H2
InChIKeyJFIXYXFEICEOLL-UHFFFAOYSA-N
MW126.15 g/mol
LogP0.53
Rot. Bonds

About 3,3a,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-ol

3,3a,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-ol (PubChem CID 130152044) has the molecular formula C7H10O2 and a molecular weight of 126.15 g/mol. Its IUPAC name is 3,3a,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-ol.

Molecular Properties

Compound Name3,3a,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-ol
PubChem CID130152044
Molecular FormulaC7H10O2
Molecular Weight126.15 g/mol
Exact Mass126.07
IUPAC Name3,3a,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-ol
SMILESOC1OCC2CC=CC21
InChIInChI=1S/C7H10O2/c8-7-6-3-1-2-5(6)4-9-7/h1,3,5-8H,2,4H2
InChIKeyJFIXYXFEICEOLL-UHFFFAOYSA-N
XLogP0.53
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.15
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,3,3a,4,7,7a-hexahydro-2-benzofuran-1-ol
CID 73178447
6-oxabicyclo[3.2.0]hept-3-ene
CID 176739282
(1R,5S,6S)-bicyclo[3.2.0]hept-3-en-6-ol
CID 11116009
(1R,5S)-3-oxabicyclo[3.1.0]hexan-2-ol
CID 130756816
(4S,5R)-oxane-2,3,4,5-tetrol
CID 71313478
(2S,3S,4S)-oxolane-2,3,4-triol
CID 10464337
(3S,4R)-(313C)oxolane-2,3,4-triol
CID 90472722
(4S)-oxane-2,3,4,5-tetrol
CID 135265936
tricyclo[5.4.1.02,6]dodec-4-en-9-ol
CID 163650056
tricyclo[4.3.0.02,4]non-8-ene
CID 154517803
5-methyl-1,3,3a,4,7,7a-hexahydro-2-benzofuran-1-ol
CID 142144963
2-cyclobut-2-en-1-yloxirane
CID 150243675

Frequently Asked Questions

What is the IUPAC name of 3,3a,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-ol?
The IUPAC name of 3,3a,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-ol (CID 130152044) is 3,3a,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-ol.
What is the SMILES notation for 3,3a,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-ol?
The canonical SMILES for 3,3a,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-ol is OC1OCC2CC=CC21.
What is the InChIKey of 3,3a,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-ol?
The InChIKey is JFIXYXFEICEOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2/c8-7-6-3-1-2-5(6)4-9-7/h1,3,5-8H,2,4H2.
What are the key properties of 3,3a,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-ol?
3,3a,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-ol has a molecular weight of 126.15 g/mol, XLogP of 0.53, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3a,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-ol is sourced from PubChem (CID 130152044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).