3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-ylmethanediol

C8H14O3 — CID 67191749

IUPAC3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-ylmethanediol
SMILESOC(O)C1OCC2CCCC21
InChIInChI=1S/C8H14O3/c9-8(10)7-6-3-1-2-5(6)4-11-7/h5-10H,1-4H2
InChIKeyFLCMSVLLVOINIZ-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.11
Rot. Bonds1

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

3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-ylmethanediol (PubChem CID 67191749) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-ylmethanediol.

Molecular Properties

Compound Name3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-ylmethanediol
PubChem CID67191749
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-ylmethanediol
SMILESOC(O)C1OCC2CCCC21
InChIInChI=1S/C8H14O3/c9-8(10)7-6-3-1-2-5(6)4-11-7/h5-10H,1-4H2
InChIKeyFLCMSVLLVOINIZ-UHFFFAOYSA-N
XLogP0.11
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-ylmethanediol?
The IUPAC name of 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-ylmethanediol (CID 67191749) is 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-ylmethanediol.
What is the SMILES notation for 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-ylmethanediol?
The canonical SMILES for 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-ylmethanediol is OC(O)C1OCC2CCCC21.
What is the InChIKey of 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-ylmethanediol?
The InChIKey is FLCMSVLLVOINIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c9-8(10)7-6-3-1-2-5(6)4-11-7/h5-10H,1-4H2.
What are the key properties of 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-ylmethanediol?
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-ylmethanediol has a molecular weight of 158.20 g/mol, XLogP of 0.11, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-ylmethanediol is sourced from PubChem (CID 67191749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).