2-methoxyoxan-3-ol;propan-1-ol

C9H20O4 — CID 145057675

IUPAC2-methoxyoxan-3-ol;propan-1-ol
SMILESCCCO.COC1OCCCC1O
InChIInChI=1S/C6H12O3.C3H8O/c1-8-6-5(7)3-2-4-9-6;1-2-3-4/h5-7H,2-4H2,1H3;4H,2-3H2,1H3
InChIKeyUYOODPDYRJUMOI-UHFFFAOYSA-N
MW192.25 g/mol
LogP0.52
Rot. Bonds2

About 2-methoxyoxan-3-ol;propan-1-ol

2-methoxyoxan-3-ol;propan-1-ol (PubChem CID 145057675) has the molecular formula C9H20O4 and a molecular weight of 192.25 g/mol. Its IUPAC name is 2-methoxyoxan-3-ol;propan-1-ol.

Molecular Properties

Compound Name2-methoxyoxan-3-ol;propan-1-ol
PubChem CID145057675
Molecular FormulaC9H20O4
Molecular Weight192.25 g/mol
Exact Mass192.14
IUPAC Name2-methoxyoxan-3-ol;propan-1-ol
SMILESCCCO.COC1OCCCC1O
InChIInChI=1S/C6H12O3.C3H8O/c1-8-6-5(7)3-2-4-9-6;1-2-3-4/h5-7H,2-4H2,1H3;4H,2-3H2,1H3
InChIKeyUYOODPDYRJUMOI-UHFFFAOYSA-N
XLogP0.52
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-decoxyoxan-3-ol
CID 164930030
2-methoxy-3-(2-methoxyoxan-3-yl)oxane
CID 575050
(2R,3R,4R)-2-methoxyoxane-3,4-diol
CID 101075515
(2S,3R,4R)-2-methoxyoxane-3,4-diol
CID 130918320
(2S,3S)-2-prop-2-enoxyoxan-3-ol
CID 130770210
2-(3-aminopropoxy)oxan-3-ol;methanol
CID 176676704
(2S,3R)-2-ethyloxan-3-ol
CID 101188955
(2S,3R)-2-[(4-methoxyphenyl)methoxy]oxan-3-ol
CID 10037202
[(2R,3R)-2-methoxyoxolan-3-yl]methanol
CID 130877552
(2R,3S,4R)-3-amino-2-methoxyoxan-4-ol
CID 55289399
4-[(2S,3R)-2-methoxyoxan-3-yl]-2-methylbutan-2-ol
CID 10420393
2-(4-methylphenoxy)oxan-3-ol
CID 22982055

Frequently Asked Questions

What is the IUPAC name of 2-methoxyoxan-3-ol;propan-1-ol?
The IUPAC name of 2-methoxyoxan-3-ol;propan-1-ol (CID 145057675) is 2-methoxyoxan-3-ol;propan-1-ol.
What is the SMILES notation for 2-methoxyoxan-3-ol;propan-1-ol?
The canonical SMILES for 2-methoxyoxan-3-ol;propan-1-ol is CCCO.COC1OCCCC1O.
What is the InChIKey of 2-methoxyoxan-3-ol;propan-1-ol?
The InChIKey is UYOODPDYRJUMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3.C3H8O/c1-8-6-5(7)3-2-4-9-6;1-2-3-4/h5-7H,2-4H2,1H3;4H,2-3H2,1H3.
What are the key properties of 2-methoxyoxan-3-ol;propan-1-ol?
2-methoxyoxan-3-ol;propan-1-ol has a molecular weight of 192.25 g/mol, XLogP of 0.52, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyoxan-3-ol;propan-1-ol is sourced from PubChem (CID 145057675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).