(5-methoxyoxan-2-yl)methanol

C7H14O3 — CID 54040462

IUPAC(5-methoxyoxan-2-yl)methanol
SMILESCOC1CCC(CO)OC1
InChIInChI=1S/C7H14O3/c1-9-7-3-2-6(4-8)10-5-7/h6-8H,2-5H2,1H3
InChIKeyLLYGSWKYTSCIMU-UHFFFAOYSA-N
MW146.19 g/mol
LogP0.17
Rot. Bonds2

About (5-methoxyoxan-2-yl)methanol

(5-methoxyoxan-2-yl)methanol (PubChem CID 54040462) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is (5-methoxyoxan-2-yl)methanol.

Molecular Properties

Compound Name(5-methoxyoxan-2-yl)methanol
PubChem CID54040462
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Name(5-methoxyoxan-2-yl)methanol
SMILESCOC1CCC(CO)OC1
InChIInChI=1S/C7H14O3/c1-9-7-3-2-6(4-8)10-5-7/h6-8H,2-5H2,1H3
InChIKeyLLYGSWKYTSCIMU-UHFFFAOYSA-N
XLogP0.17
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-methoxyoxan-2-yl)methanol?
The IUPAC name of (5-methoxyoxan-2-yl)methanol (CID 54040462) is (5-methoxyoxan-2-yl)methanol.
What is the SMILES notation for (5-methoxyoxan-2-yl)methanol?
The canonical SMILES for (5-methoxyoxan-2-yl)methanol is COC1CCC(CO)OC1.
What is the InChIKey of (5-methoxyoxan-2-yl)methanol?
The InChIKey is LLYGSWKYTSCIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3/c1-9-7-3-2-6(4-8)10-5-7/h6-8H,2-5H2,1H3.
What are the key properties of (5-methoxyoxan-2-yl)methanol?
(5-methoxyoxan-2-yl)methanol has a molecular weight of 146.19 g/mol, XLogP of 0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxyoxan-2-yl)methanol is sourced from PubChem (CID 54040462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).