1-(hydroxymethyl)-3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]furan-3-ol

C9H16O3 — CID 88997765

IUPAC1-(hydroxymethyl)-3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]furan-3-ol
SMILESCC12CCCC1C(CO)OC2O
InChIInChI=1S/C9H16O3/c1-9-4-2-3-6(9)7(5-10)12-8(9)11/h6-8,10-11H,2-5H2,1H3
InChIKeyRNQCTOHXRJHUFV-UHFFFAOYSA-N
MW172.22 g/mol
LogP0.50
Rot. Bonds1

About 1-(hydroxymethyl)-3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]furan-3-ol

1-(hydroxymethyl)-3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]furan-3-ol (PubChem CID 88997765) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is 1-(hydroxymethyl)-3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]furan-3-ol.

Molecular Properties

Compound Name1-(hydroxymethyl)-3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]furan-3-ol
PubChem CID88997765
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name1-(hydroxymethyl)-3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]furan-3-ol
SMILESCC12CCCC1C(CO)OC2O
InChIInChI=1S/C9H16O3/c1-9-4-2-3-6(9)7(5-10)12-8(9)11/h6-8,10-11H,2-5H2,1H3
InChIKeyRNQCTOHXRJHUFV-UHFFFAOYSA-N
XLogP0.50
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(hydroxymethyl)-3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]furan-3-ol?
The IUPAC name of 1-(hydroxymethyl)-3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]furan-3-ol (CID 88997765) is 1-(hydroxymethyl)-3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]furan-3-ol.
What is the SMILES notation for 1-(hydroxymethyl)-3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]furan-3-ol?
The canonical SMILES for 1-(hydroxymethyl)-3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]furan-3-ol is CC12CCCC1C(CO)OC2O.
What is the InChIKey of 1-(hydroxymethyl)-3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]furan-3-ol?
The InChIKey is RNQCTOHXRJHUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3/c1-9-4-2-3-6(9)7(5-10)12-8(9)11/h6-8,10-11H,2-5H2,1H3.
What are the key properties of 1-(hydroxymethyl)-3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]furan-3-ol?
1-(hydroxymethyl)-3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]furan-3-ol has a molecular weight of 172.22 g/mol, XLogP of 0.50, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hydroxymethyl)-3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]furan-3-ol is sourced from PubChem (CID 88997765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).