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

C8H14O2 — CID 130149308

IUPAC3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ylmethanol
SMILESOCC1CC2CCCC2O1
InChIInChI=1S/C8H14O2/c9-5-7-4-6-2-1-3-8(6)10-7/h6-9H,1-5H2
InChIKeyMCAPYEDSJGAMTP-UHFFFAOYSA-N
MW142.20 g/mol
LogP0.94
Rot. Bonds1

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

3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ylmethanol (PubChem CID 130149308) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ylmethanol.

Molecular Properties

Compound Name3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ylmethanol
PubChem CID130149308
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ylmethanol
SMILESOCC1CC2CCCC2O1
InChIInChI=1S/C8H14O2/c9-5-7-4-6-2-1-3-8(6)10-7/h6-9H,1-5H2
InChIKeyMCAPYEDSJGAMTP-UHFFFAOYSA-N
XLogP0.94
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(iodomethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan
CID 13487203
(3aR,7aS)-2-(bromomethyl)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran
CID 12857347
(3aS,7aR)-2-(bromomethyl)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran
CID 12857346
(2R,3aS,7aR)-2-(iodomethyl)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran
CID 101260923
2,3,3a,4,6,6a-hexahydrofuro[2,3-c]furan-2-ylmethanol
CID 170910390
2-[(2S,3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-2-yl]acetonitrile
CID 138979606
1-(2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-2-ylmethyl)cyclopropan-1-amine
CID 130736310
[(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrol-2-yl]methanol
CID 127264235
[(2S,3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrol-2-yl]methanol;hydrochloride
CID 127264226
(3E)-3-(3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ylmethoxyimino)butan-2-one
CID 167749550
3-(3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ylmethoxyimino)butan-2-one
CID 154784408
[(2R,5S)-5-[(2S,5R)-5-(hydroxymethyl)oxolan-2-yl]oxolan-2-yl]methanol
CID 57325873

Frequently Asked Questions

What is the IUPAC name of 3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ylmethanol?
The IUPAC name of 3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ylmethanol (CID 130149308) is 3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ylmethanol.
What is the SMILES notation for 3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ylmethanol?
The canonical SMILES for 3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ylmethanol is OCC1CC2CCCC2O1.
What is the InChIKey of 3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ylmethanol?
The InChIKey is MCAPYEDSJGAMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c9-5-7-4-6-2-1-3-8(6)10-7/h6-9H,1-5H2.
What are the key properties of 3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ylmethanol?
3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ylmethanol has a molecular weight of 142.20 g/mol, XLogP of 0.94, 1 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-ylmethanol is sourced from PubChem (CID 130149308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).