3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-ol

C7H12O2 — CID 18944235

IUPAC3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-ol
SMILESOC1OCC2CCCC21
InChIInChI=1S/C7H12O2/c8-7-6-3-1-2-5(6)4-9-7/h5-8H,1-4H2
InChIKeyYMPFQXIMSUXNDC-UHFFFAOYSA-N
MW128.17 g/mol
LogP0.75
Rot. Bonds

About 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-ol

3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-ol (PubChem CID 18944235) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-ol.

Molecular Properties

Compound Name3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-ol
PubChem CID18944235
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-ol
SMILESOC1OCC2CCCC21
InChIInChI=1S/C7H12O2/c8-7-6-3-1-2-5(6)4-9-7/h5-8H,1-4H2
InChIKeyYMPFQXIMSUXNDC-UHFFFAOYSA-N
XLogP0.75
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-ol with MolForge

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Related Compounds

3-fluoro-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol
CID 153756207
(3aR,6aS)-1-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-ol
CID 134895263
2-oxabicyclo-[3.3.0]octan-3(R,S)-ol
CID 12645859
(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-ol
CID 15360283
2,3,3a,4,5,6-Hexahydrocyclopenta[b]furan-6a-ol
CID 23154286
(3aS,6aS)-1,3,4,5,6,6a-hexahydrocyclopenta[c]furan-3,3a-diol
CID 58488562
(3aS,6aR)-1,3,4,5,6,6a-hexahydrocyclopenta[c]furan-3,3a-diol
CID 58488564
6-ethyl-4-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-ol
CID 66837738
3a-Methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]furan-1,3-diol
CID 67191750
3-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol
CID 68240784
4-ethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-1,3-diol
CID 68387854
4-ethyl-6-propyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-ol
CID 89176258

Frequently Asked Questions

What is the IUPAC name of 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-ol?
The IUPAC name of 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-ol (CID 18944235) is 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-ol.
What is the SMILES notation for 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-ol?
The canonical SMILES for 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-ol is OC1OCC2CCCC21.
What is the InChIKey of 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-ol?
The InChIKey is YMPFQXIMSUXNDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2/c8-7-6-3-1-2-5(6)4-9-7/h5-8H,1-4H2.
What are the key properties of 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-ol?
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-ol has a molecular weight of 128.17 g/mol, XLogP of 0.75, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-ol is sourced from PubChem (CID 18944235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).