2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran-2-ol

C8H14O2 — CID 14045022

IUPAC2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran-2-ol
SMILESOC1CCC2CCCC2O1
InChIInChI=1S/C8H14O2/c9-8-5-4-6-2-1-3-7(6)10-8/h6-9H,1-5H2
InChIKeyDUQJTJQWMVZKJW-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.28
Rot. Bonds

About 2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran-2-ol

2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran-2-ol (PubChem CID 14045022) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran-2-ol.

Molecular Properties

Compound Name2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran-2-ol
PubChem CID14045022
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran-2-ol
SMILESOC1CCC2CCCC2O1
InChIInChI=1S/C8H14O2/c9-8-5-4-6-2-1-3-7(6)10-8/h6-9H,1-5H2
InChIKeyDUQJTJQWMVZKJW-UHFFFAOYSA-N
XLogP1.28
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran-2-ol?
The IUPAC name of 2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran-2-ol (CID 14045022) is 2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran-2-ol.
What is the SMILES notation for 2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran-2-ol?
The canonical SMILES for 2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran-2-ol is OC1CCC2CCCC2O1.
What is the InChIKey of 2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran-2-ol?
The InChIKey is DUQJTJQWMVZKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c9-8-5-4-6-2-1-3-7(6)10-8/h6-9H,1-5H2.
What are the key properties of 2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran-2-ol?
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran-2-ol has a molecular weight of 142.20 g/mol, XLogP of 1.28, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran-2-ol is sourced from PubChem (CID 14045022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).