2-(3,4-dihydro-2H-pyran-6-yl)bicyclo[2.2.1]heptan-2-ol

C12H18O2 — CID 102646665

IUPAC2-(3,4-dihydro-2H-pyran-6-yl)bicyclo[2.2.1]heptan-2-ol
SMILESOC1(C2=CCCCO2)CC2CCC1C2
InChIInChI=1S/C12H18O2/c13-12(11-3-1-2-6-14-11)8-9-4-5-10(12)7-9/h3,9-10,13H,1-2,4-8H2
InChIKeyGSXBTHWVGZVXMO-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.23
Rot. Bonds1

About 2-(3,4-dihydro-2H-pyran-6-yl)bicyclo[2.2.1]heptan-2-ol

2-(3,4-dihydro-2H-pyran-6-yl)bicyclo[2.2.1]heptan-2-ol (PubChem CID 102646665) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-pyran-6-yl)bicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-pyran-6-yl)bicyclo[2.2.1]heptan-2-ol
PubChem CID102646665
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name2-(3,4-dihydro-2H-pyran-6-yl)bicyclo[2.2.1]heptan-2-ol
SMILESOC1(C2=CCCCO2)CC2CCC1C2
InChIInChI=1S/C12H18O2/c13-12(11-3-1-2-6-14-11)8-9-4-5-10(12)7-9/h3,9-10,13H,1-2,4-8H2
InChIKeyGSXBTHWVGZVXMO-UHFFFAOYSA-N
XLogP2.23
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-pyran-6-yl)bicyclo[2.2.1]heptan-2-ol?
The IUPAC name of 2-(3,4-dihydro-2H-pyran-6-yl)bicyclo[2.2.1]heptan-2-ol (CID 102646665) is 2-(3,4-dihydro-2H-pyran-6-yl)bicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for 2-(3,4-dihydro-2H-pyran-6-yl)bicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for 2-(3,4-dihydro-2H-pyran-6-yl)bicyclo[2.2.1]heptan-2-ol is OC1(C2=CCCCO2)CC2CCC1C2.
What is the InChIKey of 2-(3,4-dihydro-2H-pyran-6-yl)bicyclo[2.2.1]heptan-2-ol?
The InChIKey is GSXBTHWVGZVXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c13-12(11-3-1-2-6-14-11)8-9-4-5-10(12)7-9/h3,9-10,13H,1-2,4-8H2.
What are the key properties of 2-(3,4-dihydro-2H-pyran-6-yl)bicyclo[2.2.1]heptan-2-ol?
2-(3,4-dihydro-2H-pyran-6-yl)bicyclo[2.2.1]heptan-2-ol has a molecular weight of 194.27 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-pyran-6-yl)bicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 102646665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).