3-ethyl-2,5,6,7-tetrahydrocyclopenta[b]pyran

C10H14O — CID 89274855

IUPAC3-ethyl-2,5,6,7-tetrahydrocyclopenta[b]pyran
SMILESCCC1=CC2=C(CCC2)OC1
InChIInChI=1S/C10H14O/c1-2-8-6-9-4-3-5-10(9)11-7-8/h6H,2-5,7H2,1H3
InChIKeyOYQLKRLGSSLLPM-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.79
Rot. Bonds1

About 3-ethyl-2,5,6,7-tetrahydrocyclopenta[b]pyran

3-ethyl-2,5,6,7-tetrahydrocyclopenta[b]pyran (PubChem CID 89274855) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is 3-ethyl-2,5,6,7-tetrahydrocyclopenta[b]pyran.

Molecular Properties

Compound Name3-ethyl-2,5,6,7-tetrahydrocyclopenta[b]pyran
PubChem CID89274855
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name3-ethyl-2,5,6,7-tetrahydrocyclopenta[b]pyran
SMILESCCC1=CC2=C(CCC2)OC1
InChIInChI=1S/C10H14O/c1-2-8-6-9-4-3-5-10(9)11-7-8/h6H,2-5,7H2,1H3
InChIKeyOYQLKRLGSSLLPM-UHFFFAOYSA-N
XLogP2.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,5,6,7-tetrahydrocyclopenta[b]pyran?
The IUPAC name of 3-ethyl-2,5,6,7-tetrahydrocyclopenta[b]pyran (CID 89274855) is 3-ethyl-2,5,6,7-tetrahydrocyclopenta[b]pyran.
What is the SMILES notation for 3-ethyl-2,5,6,7-tetrahydrocyclopenta[b]pyran?
The canonical SMILES for 3-ethyl-2,5,6,7-tetrahydrocyclopenta[b]pyran is CCC1=CC2=C(CCC2)OC1.
What is the InChIKey of 3-ethyl-2,5,6,7-tetrahydrocyclopenta[b]pyran?
The InChIKey is OYQLKRLGSSLLPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O/c1-2-8-6-9-4-3-5-10(9)11-7-8/h6H,2-5,7H2,1H3.
What are the key properties of 3-ethyl-2,5,6,7-tetrahydrocyclopenta[b]pyran?
3-ethyl-2,5,6,7-tetrahydrocyclopenta[b]pyran has a molecular weight of 150.22 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2,5,6,7-tetrahydrocyclopenta[b]pyran is sourced from PubChem (CID 89274855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).