6-propan-2-yl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one

C11H16O2 — CID 71377794

IUPAC6-propan-2-yl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
SMILESCC(C)C1CC2=C(OCCC2)C1=O
InChIInChI=1S/C11H16O2/c1-7(2)9-6-8-4-3-5-13-11(8)10(9)12/h7,9H,3-6H2,1-2H3
InChIKeyOMJJSNZAIPMSHB-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.30
Rot. Bonds1

About 6-propan-2-yl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one

6-propan-2-yl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one (PubChem CID 71377794) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 6-propan-2-yl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one.

Molecular Properties

Compound Name6-propan-2-yl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
PubChem CID71377794
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name6-propan-2-yl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
SMILESCC(C)C1CC2=C(OCCC2)C1=O
InChIInChI=1S/C11H16O2/c1-7(2)9-6-8-4-3-5-13-11(8)10(9)12/h7,9H,3-6H2,1-2H3
InChIKeyOMJJSNZAIPMSHB-UHFFFAOYSA-N
XLogP2.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one?
The IUPAC name of 6-propan-2-yl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one (CID 71377794) is 6-propan-2-yl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one.
What is the SMILES notation for 6-propan-2-yl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one?
The canonical SMILES for 6-propan-2-yl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one is CC(C)C1CC2=C(OCCC2)C1=O.
What is the InChIKey of 6-propan-2-yl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one?
The InChIKey is OMJJSNZAIPMSHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-7(2)9-6-8-4-3-5-13-11(8)10(9)12/h7,9H,3-6H2,1-2H3.
What are the key properties of 6-propan-2-yl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one?
6-propan-2-yl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one has a molecular weight of 180.25 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one is sourced from PubChem (CID 71377794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).