3,4-dihydro-2H-pyran-5-yl-(2-methyloxolan-3-yl)methanol

C11H18O3 — CID 115831448

IUPAC3,4-dihydro-2H-pyran-5-yl-(2-methyloxolan-3-yl)methanol
SMILESCC1OCCC1C(O)C1=COCCC1
InChIInChI=1S/C11H18O3/c1-8-10(4-6-14-8)11(12)9-3-2-5-13-7-9/h7-8,10-12H,2-6H2,1H3
InChIKeyQNSWAIDQYSPLQU-UHFFFAOYSA-N
MW198.26 g/mol
LogP1.47
Rot. Bonds2

About 3,4-dihydro-2H-pyran-5-yl-(2-methyloxolan-3-yl)methanol

3,4-dihydro-2H-pyran-5-yl-(2-methyloxolan-3-yl)methanol (PubChem CID 115831448) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyran-5-yl-(2-methyloxolan-3-yl)methanol.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran-5-yl-(2-methyloxolan-3-yl)methanol
PubChem CID115831448
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name3,4-dihydro-2H-pyran-5-yl-(2-methyloxolan-3-yl)methanol
SMILESCC1OCCC1C(O)C1=COCCC1
InChIInChI=1S/C11H18O3/c1-8-10(4-6-14-8)11(12)9-3-2-5-13-7-9/h7-8,10-12H,2-6H2,1H3
InChIKeyQNSWAIDQYSPLQU-UHFFFAOYSA-N
XLogP1.47
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cycloocten-1-yl-(2-methyloxolan-3-yl)methanol
CID 106657618
3,4-dihydro-2H-pyran-6-yl-(2-methyloxolan-3-yl)methanol
CID 102649637
2-cyclobutyl-1-(3,4-dihydro-2H-pyran-5-yl)propan-1-ol
CID 164659731
(2-methyloxolan-3-yl)-(4-methyl-1,2,4-triazol-3-yl)methanol
CID 130920847
(2-methyloxolan-3-yl)-(2,4,6-trifluorophenyl)methanol
CID 79763149
[3,4-dihydro-2H-pyran-5-yl-(3-methyloxolan-2-yl)methyl]hydrazine
CID 105333267
(2-fluorophenyl)-(2-methyloxolan-3-yl)methanol
CID 115781704
1-(3,4-dihydro-2H-pyran-5-yl)-2-(1,3-dioxolan-2-yl)ethanamine
CID 103544151
[4-(2-methylbutan-2-yl)phenyl]-(2-methyloxolan-3-yl)methanol
CID 79762806
(2,4-dimethylphenyl)-(2-methyloxolan-3-yl)methanol
CID 79762886
3,4-dihydro-2H-pyran-5-yl-(1-methylcyclopentyl)methanol
CID 115831607
(2,3-dichlorophenyl)-(2-methyloxolan-3-yl)methanol
CID 115792974

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyran-5-yl-(2-methyloxolan-3-yl)methanol?
The IUPAC name of 3,4-dihydro-2H-pyran-5-yl-(2-methyloxolan-3-yl)methanol (CID 115831448) is 3,4-dihydro-2H-pyran-5-yl-(2-methyloxolan-3-yl)methanol.
What is the SMILES notation for 3,4-dihydro-2H-pyran-5-yl-(2-methyloxolan-3-yl)methanol?
The canonical SMILES for 3,4-dihydro-2H-pyran-5-yl-(2-methyloxolan-3-yl)methanol is CC1OCCC1C(O)C1=COCCC1.
What is the InChIKey of 3,4-dihydro-2H-pyran-5-yl-(2-methyloxolan-3-yl)methanol?
The InChIKey is QNSWAIDQYSPLQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c1-8-10(4-6-14-8)11(12)9-3-2-5-13-7-9/h7-8,10-12H,2-6H2,1H3.
What are the key properties of 3,4-dihydro-2H-pyran-5-yl-(2-methyloxolan-3-yl)methanol?
3,4-dihydro-2H-pyran-5-yl-(2-methyloxolan-3-yl)methanol has a molecular weight of 198.26 g/mol, XLogP of 1.47, 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-5-yl-(2-methyloxolan-3-yl)methanol is sourced from PubChem (CID 115831448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).