6,7-dimethoxycyclopenta[c]pyran

C10H10O3 — CID 174854625

IUPAC6,7-dimethoxycyclopenta[c]pyran
SMILESCOc1cc2ccocc-2c1OC
InChIInChI=1S/C10H10O3/c1-11-9-5-7-3-4-13-6-8(7)10(9)12-2/h3-6H,1-2H3
InChIKeyLKXIYXHEXOTVQI-UHFFFAOYSA-N
MW178.19 g/mol
LogP2.40
Rot. Bonds2

About 6,7-dimethoxycyclopenta[c]pyran

6,7-dimethoxycyclopenta[c]pyran (PubChem CID 174854625) has the molecular formula C10H10O3 and a molecular weight of 178.19 g/mol. Its IUPAC name is 6,7-dimethoxycyclopenta[c]pyran.

Molecular Properties

Compound Name6,7-dimethoxycyclopenta[c]pyran
PubChem CID174854625
Molecular FormulaC10H10O3
Molecular Weight178.19 g/mol
Exact Mass178.06
IUPAC Name6,7-dimethoxycyclopenta[c]pyran
SMILESCOc1cc2ccocc-2c1OC
InChIInChI=1S/C10H10O3/c1-11-9-5-7-3-4-13-6-8(7)10(9)12-2/h3-6H,1-2H3
InChIKeyLKXIYXHEXOTVQI-UHFFFAOYSA-N
XLogP2.40
TPSA31.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxycyclopenta[c]pyran?
The IUPAC name of 6,7-dimethoxycyclopenta[c]pyran (CID 174854625) is 6,7-dimethoxycyclopenta[c]pyran.
What is the SMILES notation for 6,7-dimethoxycyclopenta[c]pyran?
The canonical SMILES for 6,7-dimethoxycyclopenta[c]pyran is COc1cc2ccocc-2c1OC.
What is the InChIKey of 6,7-dimethoxycyclopenta[c]pyran?
The InChIKey is LKXIYXHEXOTVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O3/c1-11-9-5-7-3-4-13-6-8(7)10(9)12-2/h3-6H,1-2H3.
What are the key properties of 6,7-dimethoxycyclopenta[c]pyran?
6,7-dimethoxycyclopenta[c]pyran has a molecular weight of 178.19 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxycyclopenta[c]pyran is sourced from PubChem (CID 174854625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).