1,3,4,5,6,6a-hexahydrocyclopenta[c]furan-3a-ol

C7H12O2 — CID 178199962

IUPAC1,3,4,5,6,6a-hexahydrocyclopenta[c]furan-3a-ol
SMILESOC12CCCC1COC2
InChIInChI=1S/C7H12O2/c8-7-3-1-2-6(7)4-9-5-7/h6,8H,1-5H2
InChIKeyQRCRMDOLVIVTPY-UHFFFAOYSA-N
MW128.17 g/mol
LogP0.55
Rot. Bonds

About 1,3,4,5,6,6a-hexahydrocyclopenta[c]furan-3a-ol

1,3,4,5,6,6a-hexahydrocyclopenta[c]furan-3a-ol (PubChem CID 178199962) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is 1,3,4,5,6,6a-hexahydrocyclopenta[c]furan-3a-ol.

Molecular Properties

Compound Name1,3,4,5,6,6a-hexahydrocyclopenta[c]furan-3a-ol
PubChem CID178199962
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name1,3,4,5,6,6a-hexahydrocyclopenta[c]furan-3a-ol
SMILESOC12CCCC1COC2
InChIInChI=1S/C7H12O2/c8-7-3-1-2-6(7)4-9-5-7/h6,8H,1-5H2
InChIKeyQRCRMDOLVIVTPY-UHFFFAOYSA-N
XLogP0.55
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 ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Hexahydro-2H-cyclopenta[b]furan-3-ol
CID 14148356
(3S,3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-ol
CID 21595351
(3R,3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-ol
CID 21796761
(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
(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-ol
CID 131177611
(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-ol
CID 139503148
(6aS)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-ol
CID 146186367
1,3,4,5,6,6a-Hexahydrocyclopenta[c]furan-3a,4-diol
CID 156705417
(1R,3S,3aR,6aS)-3-ethyl-1-methyl-1,3,3a,4,5,6-hexahydrocyclopenta[c]furan-6a-ol
CID 10535161
(1R,3R,3aR,6aS)-1-methyl-3-propan-2-yl-1,3,3a,4,5,6-hexahydrocyclopenta[c]furan-6a-ol
CID 10559401
(1R,3S,3aR,6aS)-1-methyl-3-propan-2-yl-1,3,3a,4,5,6-hexahydrocyclopenta[c]furan-6a-ol
CID 10702643

Frequently Asked Questions

What is the IUPAC name of 1,3,4,5,6,6a-hexahydrocyclopenta[c]furan-3a-ol?
The IUPAC name of 1,3,4,5,6,6a-hexahydrocyclopenta[c]furan-3a-ol (CID 178199962) is 1,3,4,5,6,6a-hexahydrocyclopenta[c]furan-3a-ol.
What is the SMILES notation for 1,3,4,5,6,6a-hexahydrocyclopenta[c]furan-3a-ol?
The canonical SMILES for 1,3,4,5,6,6a-hexahydrocyclopenta[c]furan-3a-ol is OC12CCCC1COC2.
What is the InChIKey of 1,3,4,5,6,6a-hexahydrocyclopenta[c]furan-3a-ol?
The InChIKey is QRCRMDOLVIVTPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2/c8-7-3-1-2-6(7)4-9-5-7/h6,8H,1-5H2.
What are the key properties of 1,3,4,5,6,6a-hexahydrocyclopenta[c]furan-3a-ol?
1,3,4,5,6,6a-hexahydrocyclopenta[c]furan-3a-ol has a molecular weight of 128.17 g/mol, XLogP of 0.55, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4,5,6,6a-hexahydrocyclopenta[c]furan-3a-ol is sourced from PubChem (CID 178199962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).