oxane;oxolan-2-ylmethanol

C15H30O4 — CID 70368060

IUPACoxane;oxolan-2-ylmethanol
SMILESC1CCOCC1.C1CCOCC1.OCC1CCCO1
InChIInChI=1S/C5H10O2.2C5H10O/c6-4-5-2-1-3-7-5;2*1-2-4-6-5-3-1/h5-6H,1-4H2;2*1-5H2
InChIKeyLYGDVLRXJJIYES-UHFFFAOYSA-N
MW274.40 g/mol
LogP2.53
Rot. Bonds1

About oxane;oxolan-2-ylmethanol

oxane;oxolan-2-ylmethanol (PubChem CID 70368060) has the molecular formula C15H30O4 and a molecular weight of 274.40 g/mol. Its IUPAC name is oxane;oxolan-2-ylmethanol.

Molecular Properties

Compound Nameoxane;oxolan-2-ylmethanol
PubChem CID70368060
Molecular FormulaC15H30O4
Molecular Weight274.40 g/mol
Exact Mass274.21
IUPAC Nameoxane;oxolan-2-ylmethanol
SMILESC1CCOCC1.C1CCOCC1.OCC1CCCO1
InChIInChI=1S/C5H10O2.2C5H10O/c6-4-5-2-1-3-7-5;2*1-2-4-6-5-3-1/h5-6H,1-4H2;2*1-5H2
InChIKeyLYGDVLRXJJIYES-UHFFFAOYSA-N
XLogP2.53
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

oxolan-2-ylmethanol;hydrochloride
CID 155166529
hydron;oxolan-2-ylmethanol
CID 174439667
[(2S)-oxan-2-yl]methanol
CID 6950811
methanol;[(2S)-oxolan-2-yl]methanol
CID 144618761
calcium;hydride;oxolan-2-ylmethanol
CID 173198677
ethanol;oxan-2-ylmethanol
CID 66900182
ethane;[(2S)-oxan-2-yl]methanol;hydrate
CID 168916263
methylcyclohexane;oxan-2-ylmethanol
CID 143263270
carbonochloridic acid;oxolan-2-ylmethanol
CID 161118728
ethane;methanol;2-methyloxane;oxan-2-ylmethanol
CID 159746076
2-ethoxyoxolane;oxolan-2-ylmethanol
CID 160542333
2-ethoxyethanol;oxolan-2-ylmethanol
CID 70426292

Frequently Asked Questions

What is the IUPAC name of oxane;oxolan-2-ylmethanol?
The IUPAC name of oxane;oxolan-2-ylmethanol (CID 70368060) is oxane;oxolan-2-ylmethanol.
What is the SMILES notation for oxane;oxolan-2-ylmethanol?
The canonical SMILES for oxane;oxolan-2-ylmethanol is C1CCOCC1.C1CCOCC1.OCC1CCCO1.
What is the InChIKey of oxane;oxolan-2-ylmethanol?
The InChIKey is LYGDVLRXJJIYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2.2C5H10O/c6-4-5-2-1-3-7-5;2*1-2-4-6-5-3-1/h5-6H,1-4H2;2*1-5H2.
What are the key properties of oxane;oxolan-2-ylmethanol?
oxane;oxolan-2-ylmethanol has a molecular weight of 274.40 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxane;oxolan-2-ylmethanol is sourced from PubChem (CID 70368060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).