5,7-dimethyl-2,3,4,5,6,7-hexahydrocyclopenta[b]pyran

C10H16O — CID 59434768

IUPAC5,7-dimethyl-2,3,4,5,6,7-hexahydrocyclopenta[b]pyran
SMILESCC1CC(C)C2=C1CCCO2
InChIInChI=1S/C10H16O/c1-7-6-8(2)10-9(7)4-3-5-11-10/h7-8H,3-6H2,1-2H3
InChIKeyINPGEKGOPMZASC-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.73
Rot. Bonds

About 5,7-dimethyl-2,3,4,5,6,7-hexahydrocyclopenta[b]pyran

5,7-dimethyl-2,3,4,5,6,7-hexahydrocyclopenta[b]pyran (PubChem CID 59434768) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 5,7-dimethyl-2,3,4,5,6,7-hexahydrocyclopenta[b]pyran.

Molecular Properties

Compound Name5,7-dimethyl-2,3,4,5,6,7-hexahydrocyclopenta[b]pyran
PubChem CID59434768
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name5,7-dimethyl-2,3,4,5,6,7-hexahydrocyclopenta[b]pyran
SMILESCC1CC(C)C2=C1CCCO2
InChIInChI=1S/C10H16O/c1-7-6-8(2)10-9(7)4-3-5-11-10/h7-8H,3-6H2,1-2H3
InChIKeyINPGEKGOPMZASC-UHFFFAOYSA-N
XLogP2.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-2,3,4,5,6,7-hexahydrocyclopenta[b]pyran?
The IUPAC name of 5,7-dimethyl-2,3,4,5,6,7-hexahydrocyclopenta[b]pyran (CID 59434768) is 5,7-dimethyl-2,3,4,5,6,7-hexahydrocyclopenta[b]pyran.
What is the SMILES notation for 5,7-dimethyl-2,3,4,5,6,7-hexahydrocyclopenta[b]pyran?
The canonical SMILES for 5,7-dimethyl-2,3,4,5,6,7-hexahydrocyclopenta[b]pyran is CC1CC(C)C2=C1CCCO2.
What is the InChIKey of 5,7-dimethyl-2,3,4,5,6,7-hexahydrocyclopenta[b]pyran?
The InChIKey is INPGEKGOPMZASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-7-6-8(2)10-9(7)4-3-5-11-10/h7-8H,3-6H2,1-2H3.
What are the key properties of 5,7-dimethyl-2,3,4,5,6,7-hexahydrocyclopenta[b]pyran?
5,7-dimethyl-2,3,4,5,6,7-hexahydrocyclopenta[b]pyran has a molecular weight of 152.24 g/mol, XLogP of 2.73, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-2,3,4,5,6,7-hexahydrocyclopenta[b]pyran is sourced from PubChem (CID 59434768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).