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

C12H22O2 — CID 89176258

IUPAC4-ethyl-6-propyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-ol
SMILESCCCC1CC(CC)C2C(O)OCC12
InChIInChI=1S/C12H22O2/c1-3-5-9-6-8(4-2)11-10(9)7-14-12(11)13/h8-13H,3-7H2,1-2H3
InChIKeyKXZZBIQTVXABMS-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.41
Rot. Bonds3

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

4-ethyl-6-propyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-ol (PubChem CID 89176258) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 4-ethyl-6-propyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-ol.

Molecular Properties

Compound Name4-ethyl-6-propyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-ol
PubChem CID89176258
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name4-ethyl-6-propyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-ol
SMILESCCCC1CC(CC)C2C(O)OCC12
InChIInChI=1S/C12H22O2/c1-3-5-9-6-8(4-2)11-10(9)7-14-12(11)13/h8-13H,3-7H2,1-2H3
InChIKeyKXZZBIQTVXABMS-UHFFFAOYSA-N
XLogP2.41
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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Related Compounds

(1S,3aS,4aR,8aR,8bS)-4a,8,8,8a-tetramethyl-1,3,3a,4,5,6,7,8b-octahydroindeno[1,2-c]furan-1-ol
CID 14527126
(+)-14,15-Epoxy-thapsan-14-ol
CID 11379426
(3aR,4S)-4-(4,4-difluoro-3-hydroxyoctyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol
CID 71248644
(3aR,4S,6aS)-4-(4,4-difluoro-3-hydroxyoctyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol
CID 89952406
(3aS,4S,6aR)-6a-methyl-4-propyl-1,3,3a,4,5,6-hexahydrocyclopenta[c]furan-3-ol
CID 134878043
(1R,3aS,4aS,8aS,8bS)-4a,8,8,8a-tetramethyl-1,3,3a,4,5,6,7,8b-octahydroindeno[1,2-c]furan-1-ol
CID 135020352
3,4-Dibutyloxolan-2-ol
CID 71343661
4,7-Methanoisobenzofuran-1-ol, octahydro-
CID 13504705
(1S,2R,6R,7R)-4-oxatricyclo[5.2.1.02,6]decan-3-ol
CID 13504706
4a,8,8,8a-Tetramethyl-1,3,3a,4,5,6,7,8b-octahydroindeno[1,2-c]furan-1-ol
CID 14527125
(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

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-propyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-ol?
The IUPAC name of 4-ethyl-6-propyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-ol (CID 89176258) is 4-ethyl-6-propyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-ol.
What is the SMILES notation for 4-ethyl-6-propyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-ol?
The canonical SMILES for 4-ethyl-6-propyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-ol is CCCC1CC(CC)C2C(O)OCC12.
What is the InChIKey of 4-ethyl-6-propyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-ol?
The InChIKey is KXZZBIQTVXABMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-3-5-9-6-8(4-2)11-10(9)7-14-12(11)13/h8-13H,3-7H2,1-2H3.
What are the key properties of 4-ethyl-6-propyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-ol?
4-ethyl-6-propyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-ol has a molecular weight of 198.31 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-propyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-ol is sourced from PubChem (CID 89176258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).