furan-2-ylmethanol;2-methyloxetane;oxan-2-ylmethanol;oxolan-2-ylmethanol

C20H36O7 — CID 159609669

IUPACfuran-2-ylmethanol;2-methyloxetane;oxan-2-ylmethanol;oxolan-2-ylmethanol
SMILESCC1CCO1.OCC1CCCCO1.OCC1CCCO1.OCc1ccco1
InChIInChI=1S/C6H12O2.C5H10O2.C5H6O2.C4H8O/c7-5-6-3-1-2-4-8-6;2*6-4-5-2-1-3-7-5;1-4-2-3-5-4/h6-7H,1-5H2;5-6H,1-4H2;1-3,6H,4H2;4H,2-3H2,1H3
InChIKeyMMNDTJYZVLWQSS-UHFFFAOYSA-N
MW388.50 g/mol
LogP2.27
Rot. Bonds3

About furan-2-ylmethanol;2-methyloxetane;oxan-2-ylmethanol;oxolan-2-ylmethanol

furan-2-ylmethanol;2-methyloxetane;oxan-2-ylmethanol;oxolan-2-ylmethanol (PubChem CID 159609669) has the molecular formula C20H36O7 and a molecular weight of 388.50 g/mol. Its IUPAC name is furan-2-ylmethanol;2-methyloxetane;oxan-2-ylmethanol;oxolan-2-ylmethanol.

Molecular Properties

Compound Namefuran-2-ylmethanol;2-methyloxetane;oxan-2-ylmethanol;oxolan-2-ylmethanol
PubChem CID159609669
Molecular FormulaC20H36O7
Molecular Weight388.50 g/mol
Exact Mass388.25
IUPAC Namefuran-2-ylmethanol;2-methyloxetane;oxan-2-ylmethanol;oxolan-2-ylmethanol
SMILESCC1CCO1.OCC1CCCCO1.OCC1CCCO1.OCc1ccco1
InChIInChI=1S/C6H12O2.C5H10O2.C5H6O2.C4H8O/c7-5-6-3-1-2-4-8-6;2*6-4-5-2-1-3-7-5;1-4-2-3-5-4/h6-7H,1-5H2;5-6H,1-4H2;1-3,6H,4H2;4H,2-3H2,1H3
InChIKeyMMNDTJYZVLWQSS-UHFFFAOYSA-N
XLogP2.27
TPSA101.52 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.50
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

ethane;methanol;2-methyloxane;oxan-2-ylmethanol
CID 159746076
[(2S)-oxan-2-yl]methanol
CID 6950811
N-(furan-2-ylmethyl)-1-(oxan-2-yl)methanamine
CID 43403599
ethanol;oxan-2-ylmethanol
CID 66900182
ethane;[(2S)-oxan-2-yl]methanol;hydrate
CID 168916263
methanol;[(2S)-oxolan-2-yl]methanol
CID 144618761
1-(furan-2-yl)-4-(oxan-2-yl)butan-2-one
CID 115795730
methylcyclohexane;oxan-2-ylmethanol
CID 143263270
2-(oxolan-2-ylmethylperoxymethyl)furan
CID 174548710
oxolan-2-ylmethanol;hydrochloride
CID 155166529
hydron;oxolan-2-ylmethanol
CID 174439667
calcium;hydride;oxolan-2-ylmethanol
CID 173198677

Frequently Asked Questions

What is the IUPAC name of furan-2-ylmethanol;2-methyloxetane;oxan-2-ylmethanol;oxolan-2-ylmethanol?
The IUPAC name of furan-2-ylmethanol;2-methyloxetane;oxan-2-ylmethanol;oxolan-2-ylmethanol (CID 159609669) is furan-2-ylmethanol;2-methyloxetane;oxan-2-ylmethanol;oxolan-2-ylmethanol.
What is the SMILES notation for furan-2-ylmethanol;2-methyloxetane;oxan-2-ylmethanol;oxolan-2-ylmethanol?
The canonical SMILES for furan-2-ylmethanol;2-methyloxetane;oxan-2-ylmethanol;oxolan-2-ylmethanol is CC1CCO1.OCC1CCCCO1.OCC1CCCO1.OCc1ccco1.
What is the InChIKey of furan-2-ylmethanol;2-methyloxetane;oxan-2-ylmethanol;oxolan-2-ylmethanol?
The InChIKey is MMNDTJYZVLWQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2.C5H10O2.C5H6O2.C4H8O/c7-5-6-3-1-2-4-8-6;2*6-4-5-2-1-3-7-5;1-4-2-3-5-4/h6-7H,1-5H2;5-6H,1-4H2;1-3,6H,4H2;4H,2-3H2,1H3.
What are the key properties of furan-2-ylmethanol;2-methyloxetane;oxan-2-ylmethanol;oxolan-2-ylmethanol?
furan-2-ylmethanol;2-methyloxetane;oxan-2-ylmethanol;oxolan-2-ylmethanol has a molecular weight of 388.50 g/mol, XLogP of 2.27, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-ylmethanol;2-methyloxetane;oxan-2-ylmethanol;oxolan-2-ylmethanol is sourced from PubChem (CID 159609669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).