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

C8H14O3 — CID 67191750

IUPAC3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]furan-1,3-diol
SMILESCC12CCCC1C(O)OC2O
InChIInChI=1S/C8H14O3/c1-8-4-2-3-5(8)6(9)11-7(8)10/h5-7,9-10H,2-4H2,1H3
InChIKeyZGAGCEYOVQGJRB-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.46
Rot. Bonds

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

3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]furan-1,3-diol (PubChem CID 67191750) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is 3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]furan-1,3-diol.

Molecular Properties

Compound Name3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]furan-1,3-diol
PubChem CID67191750
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]furan-1,3-diol
SMILESCC12CCCC1C(O)OC2O
InChIInChI=1S/C8H14O3/c1-8-4-2-3-5(8)6(9)11-7(8)10/h5-7,9-10H,2-4H2,1H3
InChIKeyZGAGCEYOVQGJRB-UHFFFAOYSA-N
XLogP0.46
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3aS,4S,6aR)-6a-methyl-4-propyl-1,3,3a,4,5,6-hexahydrocyclopenta[c]furan-3-ol
CID 134878043
(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-ol
CID 15360283
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-ol
CID 18944235
4-[3-(2,3-dimethylbutan-2-yl)octyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol
CID 21328906
(1S,5S)-3,7-dioxatricyclo[3.3.3.01,5]undecane-2,6-diol
CID 58488563
6-ethyl-4-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-ol
CID 66837738
(5S)-3,7-dioxatricyclo[3.3.3.01,5]undecane-2,6-diol
CID 68221801
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-[(3,5-Diethyl-2-methylcyclopentyl)methyl]-4-ethyloxolan-2-ol
CID 70950588
4-Heptan-3-yl-4-methyloxolan-2-ol
CID 70950655
4-Butyl-3,3-dimethyloxolan-2-ol
CID 88974253

Frequently Asked Questions

What is the IUPAC name of 3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]furan-1,3-diol?
The IUPAC name of 3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]furan-1,3-diol (CID 67191750) is 3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]furan-1,3-diol.
What is the SMILES notation for 3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]furan-1,3-diol?
The canonical SMILES for 3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]furan-1,3-diol is CC12CCCC1C(O)OC2O.
What is the InChIKey of 3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]furan-1,3-diol?
The InChIKey is ZGAGCEYOVQGJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-8-4-2-3-5(8)6(9)11-7(8)10/h5-7,9-10H,2-4H2,1H3.
What are the key properties of 3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]furan-1,3-diol?
3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]furan-1,3-diol has a molecular weight of 158.20 g/mol, XLogP of 0.46, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]furan-1,3-diol is sourced from PubChem (CID 67191750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).