[3-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-1-yl]methanol

C9H16O3 — CID 67191748

IUPAC[3-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-1-yl]methanol
SMILESOCC1OC(CO)C2CCCC12
InChIInChI=1S/C9H16O3/c10-4-8-6-2-1-3-7(6)9(5-11)12-8/h6-11H,1-5H2
InChIKeyJHNCQKIVKSOXPK-UHFFFAOYSA-N
MW172.22 g/mol
LogP0.15
Rot. Bonds2

About [3-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-1-yl]methanol

[3-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-1-yl]methanol (PubChem CID 67191748) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is [3-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-1-yl]methanol.

Molecular Properties

Compound Name[3-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-1-yl]methanol
PubChem CID67191748
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name[3-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-1-yl]methanol
SMILESOCC1OC(CO)C2CCCC12
InChIInChI=1S/C9H16O3/c10-4-8-6-2-1-3-7(6)9(5-11)12-8/h6-11H,1-5H2
InChIKeyJHNCQKIVKSOXPK-UHFFFAOYSA-N
XLogP0.15
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-1-yl]methanol?
The IUPAC name of [3-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-1-yl]methanol (CID 67191748) is [3-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-1-yl]methanol.
What is the SMILES notation for [3-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-1-yl]methanol?
The canonical SMILES for [3-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-1-yl]methanol is OCC1OC(CO)C2CCCC12.
What is the InChIKey of [3-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-1-yl]methanol?
The InChIKey is JHNCQKIVKSOXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3/c10-4-8-6-2-1-3-7(6)9(5-11)12-8/h6-11H,1-5H2.
What are the key properties of [3-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-1-yl]methanol?
[3-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-1-yl]methanol has a molecular weight of 172.22 g/mol, XLogP of 0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-1-yl]methanol is sourced from PubChem (CID 67191748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).