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

C8H14O — CID 54199896

IUPAC2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran
SMILESC1COC2CCCC2C1
InChIInChI=1S/C8H14O/c1-3-7-4-2-6-9-8(7)5-1/h7-8H,1-6H2
InChIKeyPOMDLNZWFLXYLH-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.97
Rot. Bonds

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

2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran (PubChem CID 54199896) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran.

Molecular Properties

Compound Name2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran
PubChem CID54199896
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran
SMILESC1COC2CCCC2C1
InChIInChI=1S/C8H14O/c1-3-7-4-2-6-9-8(7)5-1/h7-8H,1-6H2
InChIKeyPOMDLNZWFLXYLH-UHFFFAOYSA-N
XLogP1.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran?
The IUPAC name of 2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran (CID 54199896) is 2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran.
What is the SMILES notation for 2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran?
The canonical SMILES for 2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran is C1COC2CCCC2C1.
What is the InChIKey of 2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran?
The InChIKey is POMDLNZWFLXYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-3-7-4-2-6-9-8(7)5-1/h7-8H,1-6H2.
What are the key properties of 2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran?
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran has a molecular weight of 126.20 g/mol, XLogP of 1.97, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran is sourced from PubChem (CID 54199896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).