3-ethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-ol

C9H16O2 — CID 139468442

IUPAC3-ethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-ol
SMILESCCC1COC2C(O)CCC12
InChIInChI=1S/C9H16O2/c1-2-6-5-11-9-7(6)3-4-8(9)10/h6-10H,2-5H2,1H3
InChIKeyBCXLUUUHZZUIRE-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.18
Rot. Bonds1

About 3-ethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-ol

3-ethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-ol (PubChem CID 139468442) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 3-ethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-ol.

Molecular Properties

Compound Name3-ethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-ol
PubChem CID139468442
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name3-ethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-ol
SMILESCCC1COC2C(O)CCC12
InChIInChI=1S/C9H16O2/c1-2-6-5-11-9-7(6)3-4-8(9)10/h6-10H,2-5H2,1H3
InChIKeyBCXLUUUHZZUIRE-UHFFFAOYSA-N
XLogP1.18
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-ethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-ol with MolForge

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Related Compounds

(3R,3aR,6R,6aS)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3,6-diol
CID 121459311
(3S,3aS,6S,6aS)-3-ethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol
CID 167164365
(3S,3aR,6R,6aR)-3-ethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol
CID 167164360
6,7-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-3-ol
CID 70311588
(3aR,6R,6aR)-3-(hydroxymethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol
CID 163508504
(3aR,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol
CID 129010301
(3aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol
CID 145221120
3-(chloromethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol
CID 123503753
(3S)-4-ethyloxolan-3-ol
CID 147211957
2-ethyl-5-(oxiran-2-yl)cyclohexan-1-ol
CID 162758443
(2R)-2-ethylcyclopropan-1-ol
CID 173498082
(3aR,6S,6aR)-6-ethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 167164363

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-ol?
The IUPAC name of 3-ethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-ol (CID 139468442) is 3-ethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-ol.
What is the SMILES notation for 3-ethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-ol?
The canonical SMILES for 3-ethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-ol is CCC1COC2C(O)CCC12.
What is the InChIKey of 3-ethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-ol?
The InChIKey is BCXLUUUHZZUIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-2-6-5-11-9-7(6)3-4-8(9)10/h6-10H,2-5H2,1H3.
What are the key properties of 3-ethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-ol?
3-ethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-ol has a molecular weight of 156.22 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-ol is sourced from PubChem (CID 139468442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).