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

C9H18O2 — CID 123359080

IUPAC3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol;ethane
SMILESCC.OC1CC2CCCC2O1
InChIInChI=1S/C7H12O2.C2H6/c8-7-4-5-2-1-3-6(5)9-7;1-2/h5-8H,1-4H2;1-2H3
InChIKeyDTNYLPFMOPUUCE-UHFFFAOYSA-N
MW158.24 g/mol
LogP1.92
Rot. Bonds

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

3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol;ethane (PubChem CID 123359080) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol;ethane.

Molecular Properties

Compound Name3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol;ethane
PubChem CID123359080
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol;ethane
SMILESCC.OC1CC2CCCC2O1
InChIInChI=1S/C7H12O2.C2H6/c8-7-4-5-2-1-3-6(5)9-7;1-2/h5-8H,1-4H2;1-2H3
InChIKeyDTNYLPFMOPUUCE-UHFFFAOYSA-N
XLogP1.92
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3aR,4R,5R,6aS)-4-ethyl-5-fluoro-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol
CID 59065317
(3aR,4R,5S,6aS)-4-ethyl-5-fluoro-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol
CID 59956913
3-fluoro-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol
CID 153756207
(4S,5R)-5-butyl-4-methyloxolan-2-ol
CID 13349176
2-Hydroxy-4-methyl-5-propyloxolane
CID 13468614
4-ethyl-5-fluoro-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol
CID 22951157
2-oxabicyclo-[3.3.0]octan-3(R,S)-ol
CID 12645859
5-Butyl-4-methyloxolan-2-ol
CID 13349175
4-(3-hydroxy-3-methyloctyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol
CID 21328891
2,3,3a,4,5,6-Hexahydrocyclopenta[b]furan-6a-ol
CID 23154286
(3aS,4R,5S,6aR)-4-ethyl-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol
CID 58620307
(3aR,4S,5R,6aS)-5-methyl-4-(3-methylbutyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol
CID 58918232

Frequently Asked Questions

What is the IUPAC name of 3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol;ethane?
The IUPAC name of 3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol;ethane (CID 123359080) is 3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol;ethane.
What is the SMILES notation for 3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol;ethane?
The canonical SMILES for 3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol;ethane is CC.OC1CC2CCCC2O1.
What is the InChIKey of 3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol;ethane?
The InChIKey is DTNYLPFMOPUUCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2.C2H6/c8-7-4-5-2-1-3-6(5)9-7;1-2/h5-8H,1-4H2;1-2H3.
What are the key properties of 3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol;ethane?
3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol;ethane has a molecular weight of 158.24 g/mol, XLogP of 1.92, 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-2H-cyclopenta[b]furan-2-ol;ethane is sourced from PubChem (CID 123359080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).