6-ethoxy-7,7-dimethyl-6H-cyclopenta[c]pyran

C12H16O2 — CID 67921715

IUPAC6-ethoxy-7,7-dimethyl-6H-cyclopenta[c]pyran
SMILESCCOC1C=C2C=COC=C2C1(C)C
InChIInChI=1S/C12H16O2/c1-4-14-11-7-9-5-6-13-8-10(9)12(11,2)3/h5-8,11H,4H2,1-3H3
InChIKeyQTKOVYORIOXHNT-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.79
Rot. Bonds2

About 6-ethoxy-7,7-dimethyl-6H-cyclopenta[c]pyran

6-ethoxy-7,7-dimethyl-6H-cyclopenta[c]pyran (PubChem CID 67921715) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 6-ethoxy-7,7-dimethyl-6H-cyclopenta[c]pyran.

Molecular Properties

Compound Name6-ethoxy-7,7-dimethyl-6H-cyclopenta[c]pyran
PubChem CID67921715
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name6-ethoxy-7,7-dimethyl-6H-cyclopenta[c]pyran
SMILESCCOC1C=C2C=COC=C2C1(C)C
InChIInChI=1S/C12H16O2/c1-4-14-11-7-9-5-6-13-8-10(9)12(11,2)3/h5-8,11H,4H2,1-3H3
InChIKeyQTKOVYORIOXHNT-UHFFFAOYSA-N
XLogP2.79
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-7,7-dimethyl-6H-cyclopenta[c]pyran?
The IUPAC name of 6-ethoxy-7,7-dimethyl-6H-cyclopenta[c]pyran (CID 67921715) is 6-ethoxy-7,7-dimethyl-6H-cyclopenta[c]pyran.
What is the SMILES notation for 6-ethoxy-7,7-dimethyl-6H-cyclopenta[c]pyran?
The canonical SMILES for 6-ethoxy-7,7-dimethyl-6H-cyclopenta[c]pyran is CCOC1C=C2C=COC=C2C1(C)C.
What is the InChIKey of 6-ethoxy-7,7-dimethyl-6H-cyclopenta[c]pyran?
The InChIKey is QTKOVYORIOXHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-4-14-11-7-9-5-6-13-8-10(9)12(11,2)3/h5-8,11H,4H2,1-3H3.
What are the key properties of 6-ethoxy-7,7-dimethyl-6H-cyclopenta[c]pyran?
6-ethoxy-7,7-dimethyl-6H-cyclopenta[c]pyran has a molecular weight of 192.26 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-7,7-dimethyl-6H-cyclopenta[c]pyran is sourced from PubChem (CID 67921715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).