1,3,4,4a-tetrahydrocyclopenta[c]pyran-4-ylmethanol

C9H12O2 — CID 67788965

IUPAC1,3,4,4a-tetrahydrocyclopenta[c]pyran-4-ylmethanol
SMILESOCC1COCC2=CC=CC21
InChIInChI=1S/C9H12O2/c10-4-8-6-11-5-7-2-1-3-9(7)8/h1-3,8-10H,4-6H2
InChIKeyKZZPFGLUQQLHKL-UHFFFAOYSA-N
MW152.19 g/mol
LogP0.74
Rot. Bonds1

About 1,3,4,4a-tetrahydrocyclopenta[c]pyran-4-ylmethanol

1,3,4,4a-tetrahydrocyclopenta[c]pyran-4-ylmethanol (PubChem CID 67788965) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is 1,3,4,4a-tetrahydrocyclopenta[c]pyran-4-ylmethanol.

Molecular Properties

Compound Name1,3,4,4a-tetrahydrocyclopenta[c]pyran-4-ylmethanol
PubChem CID67788965
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name1,3,4,4a-tetrahydrocyclopenta[c]pyran-4-ylmethanol
SMILESOCC1COCC2=CC=CC21
InChIInChI=1S/C9H12O2/c10-4-8-6-11-5-7-2-1-3-9(7)8/h1-3,8-10H,4-6H2
InChIKeyKZZPFGLUQQLHKL-UHFFFAOYSA-N
XLogP0.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1,3,4,4a-tetrahydrocyclopenta[c]pyran-4-ylmethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,3,4,4a-tetrahydrocyclopenta[c]pyran-4-ylmethanol?
The IUPAC name of 1,3,4,4a-tetrahydrocyclopenta[c]pyran-4-ylmethanol (CID 67788965) is 1,3,4,4a-tetrahydrocyclopenta[c]pyran-4-ylmethanol.
What is the SMILES notation for 1,3,4,4a-tetrahydrocyclopenta[c]pyran-4-ylmethanol?
The canonical SMILES for 1,3,4,4a-tetrahydrocyclopenta[c]pyran-4-ylmethanol is OCC1COCC2=CC=CC21.
What is the InChIKey of 1,3,4,4a-tetrahydrocyclopenta[c]pyran-4-ylmethanol?
The InChIKey is KZZPFGLUQQLHKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c10-4-8-6-11-5-7-2-1-3-9(7)8/h1-3,8-10H,4-6H2.
What are the key properties of 1,3,4,4a-tetrahydrocyclopenta[c]pyran-4-ylmethanol?
1,3,4,4a-tetrahydrocyclopenta[c]pyran-4-ylmethanol has a molecular weight of 152.19 g/mol, XLogP of 0.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4,4a-tetrahydrocyclopenta[c]pyran-4-ylmethanol is sourced from PubChem (CID 67788965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).