7,7-dimethyl-1H-cyclopenta[c]pyran-1-ol

C10H12O2 — CID 57317710

IUPAC7,7-dimethyl-1H-cyclopenta[c]pyran-1-ol
SMILESCC1(C)C=CC2=C1C(O)OC=C2
InChIInChI=1S/C10H12O2/c1-10(2)5-3-7-4-6-12-9(11)8(7)10/h3-6,9,11H,1-2H3
InChIKeyPGODLAMWODQIAL-UHFFFAOYSA-N
MW164.20 g/mol
LogP1.74
Rot. Bonds

About 7,7-dimethyl-1H-cyclopenta[c]pyran-1-ol

7,7-dimethyl-1H-cyclopenta[c]pyran-1-ol (PubChem CID 57317710) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 7,7-dimethyl-1H-cyclopenta[c]pyran-1-ol.

Molecular Properties

Compound Name7,7-dimethyl-1H-cyclopenta[c]pyran-1-ol
PubChem CID57317710
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name7,7-dimethyl-1H-cyclopenta[c]pyran-1-ol
SMILESCC1(C)C=CC2=C1C(O)OC=C2
InChIInChI=1S/C10H12O2/c1-10(2)5-3-7-4-6-12-9(11)8(7)10/h3-6,9,11H,1-2H3
InChIKeyPGODLAMWODQIAL-UHFFFAOYSA-N
XLogP1.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-1H-cyclopenta[c]pyran-1-ol?
The IUPAC name of 7,7-dimethyl-1H-cyclopenta[c]pyran-1-ol (CID 57317710) is 7,7-dimethyl-1H-cyclopenta[c]pyran-1-ol.
What is the SMILES notation for 7,7-dimethyl-1H-cyclopenta[c]pyran-1-ol?
The canonical SMILES for 7,7-dimethyl-1H-cyclopenta[c]pyran-1-ol is CC1(C)C=CC2=C1C(O)OC=C2.
What is the InChIKey of 7,7-dimethyl-1H-cyclopenta[c]pyran-1-ol?
The InChIKey is PGODLAMWODQIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c1-10(2)5-3-7-4-6-12-9(11)8(7)10/h3-6,9,11H,1-2H3.
What are the key properties of 7,7-dimethyl-1H-cyclopenta[c]pyran-1-ol?
7,7-dimethyl-1H-cyclopenta[c]pyran-1-ol has a molecular weight of 164.20 g/mol, XLogP of 1.74, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-1H-cyclopenta[c]pyran-1-ol is sourced from PubChem (CID 57317710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).