[4-(hydroxymethyl)-1-methoxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methanol

C11H16O4 — CID 22117652

IUPAC[4-(hydroxymethyl)-1-methoxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methanol
SMILESCOC1OC=C(CO)C2CC=C(CO)C12
InChIInChI=1S/C11H16O4/c1-14-11-10-7(4-12)2-3-9(10)8(5-13)6-15-11/h2,6,9-13H,3-5H2,1H3
InChIKeyUEGGRFODYMCLSV-UHFFFAOYSA-N
MW212.24 g/mol
LogP0.42
Rot. Bonds3

About [4-(hydroxymethyl)-1-methoxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methanol

[4-(hydroxymethyl)-1-methoxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methanol (PubChem CID 22117652) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is [4-(hydroxymethyl)-1-methoxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methanol.

Molecular Properties

Compound Name[4-(hydroxymethyl)-1-methoxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methanol
PubChem CID22117652
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name[4-(hydroxymethyl)-1-methoxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methanol
SMILESCOC1OC=C(CO)C2CC=C(CO)C12
InChIInChI=1S/C11H16O4/c1-14-11-10-7(4-12)2-3-9(10)8(5-13)6-15-11/h2,6,9-13H,3-5H2,1H3
InChIKeyUEGGRFODYMCLSV-UHFFFAOYSA-N
XLogP0.42
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-(hydroxymethyl)-1-methoxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methanol?
The IUPAC name of [4-(hydroxymethyl)-1-methoxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methanol (CID 22117652) is [4-(hydroxymethyl)-1-methoxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methanol.
What is the SMILES notation for [4-(hydroxymethyl)-1-methoxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methanol?
The canonical SMILES for [4-(hydroxymethyl)-1-methoxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methanol is COC1OC=C(CO)C2CC=C(CO)C12.
What is the InChIKey of [4-(hydroxymethyl)-1-methoxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methanol?
The InChIKey is UEGGRFODYMCLSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4/c1-14-11-10-7(4-12)2-3-9(10)8(5-13)6-15-11/h2,6,9-13H,3-5H2,1H3.
What are the key properties of [4-(hydroxymethyl)-1-methoxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methanol?
[4-(hydroxymethyl)-1-methoxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methanol has a molecular weight of 212.24 g/mol, XLogP of 0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxymethyl)-1-methoxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methanol is sourced from PubChem (CID 22117652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).