3,4-dihydro-2H-pyran-6-yl(3-oxabicyclo[3.1.0]hexan-6-yl)methanol

C11H16O3 — CID 131183406

IUPAC3,4-dihydro-2H-pyran-6-yl(3-oxabicyclo[3.1.0]hexan-6-yl)methanol
SMILESOC(C1=CCCCO1)C1C2COCC21
InChIInChI=1S/C11H16O3/c12-11(9-3-1-2-4-14-9)10-7-5-13-6-8(7)10/h3,7-8,10-12H,1-2,4-6H2
InChIKeyAEPDMRQYHLGKON-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.93
Rot. Bonds2

About 3,4-dihydro-2H-pyran-6-yl(3-oxabicyclo[3.1.0]hexan-6-yl)methanol

3,4-dihydro-2H-pyran-6-yl(3-oxabicyclo[3.1.0]hexan-6-yl)methanol (PubChem CID 131183406) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyran-6-yl(3-oxabicyclo[3.1.0]hexan-6-yl)methanol.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran-6-yl(3-oxabicyclo[3.1.0]hexan-6-yl)methanol
PubChem CID131183406
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name3,4-dihydro-2H-pyran-6-yl(3-oxabicyclo[3.1.0]hexan-6-yl)methanol
SMILESOC(C1=CCCCO1)C1C2COCC21
InChIInChI=1S/C11H16O3/c12-11(9-3-1-2-4-14-9)10-7-5-13-6-8(7)10/h3,7-8,10-12H,1-2,4-6H2
InChIKeyAEPDMRQYHLGKON-UHFFFAOYSA-N
XLogP0.93
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dihydro-2H-pyran-6-yl(thiolan-2-yl)methanol
CID 102649744
3,4-dihydro-2H-pyran-6-yl-(2-methyloxolan-3-yl)methanol
CID 102649637
(1S)-1-(3,4-dihydro-2H-pyran-6-yl)-2,2,2-trifluoroethanol
CID 102654858
3,4-dihydro-2H-pyran-6-yl-(4-methylmorpholin-2-yl)methanol
CID 102654770
1-(3,4-dihydro-2H-pyran-6-yl)-3-methylbutane-1,2-diol
CID 103456632
(4-butylcyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methanol
CID 102649753
2-cyclohexyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanol
CID 102646644
3,4-dihydro-2H-pyran-6-yl-(1-methylcyclopropyl)methanol
CID 102654803
(E)-1-(3,4-dihydro-2H-pyran-6-yl)but-2-en-1-ol
CID 130123097
3,4-dihydro-2H-pyran-6-yl-(2-fluoro-1-methylcyclopropyl)methanol
CID 130855556
1-(3,4-dihydro-2H-pyran-6-yl)-2-(dimethylamino)-2-methylpropan-1-ol
CID 102654733
1-(3,4-dihydro-2H-pyran-6-yl)nonan-1-ol
CID 102649817

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyran-6-yl(3-oxabicyclo[3.1.0]hexan-6-yl)methanol?
The IUPAC name of 3,4-dihydro-2H-pyran-6-yl(3-oxabicyclo[3.1.0]hexan-6-yl)methanol (CID 131183406) is 3,4-dihydro-2H-pyran-6-yl(3-oxabicyclo[3.1.0]hexan-6-yl)methanol.
What is the SMILES notation for 3,4-dihydro-2H-pyran-6-yl(3-oxabicyclo[3.1.0]hexan-6-yl)methanol?
The canonical SMILES for 3,4-dihydro-2H-pyran-6-yl(3-oxabicyclo[3.1.0]hexan-6-yl)methanol is OC(C1=CCCCO1)C1C2COCC21.
What is the InChIKey of 3,4-dihydro-2H-pyran-6-yl(3-oxabicyclo[3.1.0]hexan-6-yl)methanol?
The InChIKey is AEPDMRQYHLGKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c12-11(9-3-1-2-4-14-9)10-7-5-13-6-8(7)10/h3,7-8,10-12H,1-2,4-6H2.
What are the key properties of 3,4-dihydro-2H-pyran-6-yl(3-oxabicyclo[3.1.0]hexan-6-yl)methanol?
3,4-dihydro-2H-pyran-6-yl(3-oxabicyclo[3.1.0]hexan-6-yl)methanol has a molecular weight of 196.25 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-pyran-6-yl(3-oxabicyclo[3.1.0]hexan-6-yl)methanol is sourced from PubChem (CID 131183406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).