1-(7,7-dimethyl-6H-cyclopenta[c]pyran-5-yl)ethanol

C12H16O2 — CID 57166520

IUPAC1-(7,7-dimethyl-6H-cyclopenta[c]pyran-5-yl)ethanol
SMILESCC(O)C1=C2C=COC=C2C(C)(C)C1
InChIInChI=1S/C12H16O2/c1-8(13)10-6-12(2,3)11-7-14-5-4-9(10)11/h4-5,7-8,13H,6H2,1-3H3
InChIKeyNUGIDEJPQSUOAO-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.52
Rot. Bonds1

About 1-(7,7-dimethyl-6H-cyclopenta[c]pyran-5-yl)ethanol

1-(7,7-dimethyl-6H-cyclopenta[c]pyran-5-yl)ethanol (PubChem CID 57166520) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-(7,7-dimethyl-6H-cyclopenta[c]pyran-5-yl)ethanol.

Molecular Properties

Compound Name1-(7,7-dimethyl-6H-cyclopenta[c]pyran-5-yl)ethanol
PubChem CID57166520
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name1-(7,7-dimethyl-6H-cyclopenta[c]pyran-5-yl)ethanol
SMILESCC(O)C1=C2C=COC=C2C(C)(C)C1
InChIInChI=1S/C12H16O2/c1-8(13)10-6-12(2,3)11-7-14-5-4-9(10)11/h4-5,7-8,13H,6H2,1-3H3
InChIKeyNUGIDEJPQSUOAO-UHFFFAOYSA-N
XLogP2.52
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(7,7-dimethyl-6H-cyclopenta[c]pyran-5-yl)ethanol?
The IUPAC name of 1-(7,7-dimethyl-6H-cyclopenta[c]pyran-5-yl)ethanol (CID 57166520) is 1-(7,7-dimethyl-6H-cyclopenta[c]pyran-5-yl)ethanol.
What is the SMILES notation for 1-(7,7-dimethyl-6H-cyclopenta[c]pyran-5-yl)ethanol?
The canonical SMILES for 1-(7,7-dimethyl-6H-cyclopenta[c]pyran-5-yl)ethanol is CC(O)C1=C2C=COC=C2C(C)(C)C1.
What is the InChIKey of 1-(7,7-dimethyl-6H-cyclopenta[c]pyran-5-yl)ethanol?
The InChIKey is NUGIDEJPQSUOAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-8(13)10-6-12(2,3)11-7-14-5-4-9(10)11/h4-5,7-8,13H,6H2,1-3H3.
What are the key properties of 1-(7,7-dimethyl-6H-cyclopenta[c]pyran-5-yl)ethanol?
1-(7,7-dimethyl-6H-cyclopenta[c]pyran-5-yl)ethanol has a molecular weight of 192.26 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7,7-dimethyl-6H-cyclopenta[c]pyran-5-yl)ethanol is sourced from PubChem (CID 57166520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).