1,4-dioxan-2-yl(oxolan-3-yl)methanol

C9H16O4 — CID 65350803

IUPAC1,4-dioxan-2-yl(oxolan-3-yl)methanol
SMILESOC(C1CCOC1)C1COCCO1
InChIInChI=1S/C9H16O4/c10-9(7-1-2-11-5-7)8-6-12-3-4-13-8/h7-10H,1-6H2
InChIKeyBHAHUNBWMWKJRJ-UHFFFAOYSA-N
MW188.22 g/mol
LogP-0.20
Rot. Bonds2

About 1,4-dioxan-2-yl(oxolan-3-yl)methanol

1,4-dioxan-2-yl(oxolan-3-yl)methanol (PubChem CID 65350803) has the molecular formula C9H16O4 and a molecular weight of 188.22 g/mol. Its IUPAC name is 1,4-dioxan-2-yl(oxolan-3-yl)methanol.

Molecular Properties

Compound Name1,4-dioxan-2-yl(oxolan-3-yl)methanol
PubChem CID65350803
Molecular FormulaC9H16O4
Molecular Weight188.22 g/mol
Exact Mass188.10
IUPAC Name1,4-dioxan-2-yl(oxolan-3-yl)methanol
SMILESOC(C1CCOC1)C1COCCO1
InChIInChI=1S/C9H16O4/c10-9(7-1-2-11-5-7)8-6-12-3-4-13-8/h7-10H,1-6H2
InChIKeyBHAHUNBWMWKJRJ-UHFFFAOYSA-N
XLogP-0.20
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,4-oxathian-2-yl(oxolan-3-yl)methanol
CID 79963788
1-(1,4-dioxan-2-yl)-2-(oxan-4-yl)ethanol
CID 65351024
2-cyclopropyl-1-(1,4-dioxan-2-yl)ethanol
CID 65350652
1-(1,4-dioxan-2-yl)ethanol
CID 57186415
2-cyclobutyl-1-(1,4-dioxan-2-yl)ethanol
CID 65457188
oxolan-3-yl(piperidin-4-yl)methanol
CID 80560253
(S)-cyclopropyl-[(2R)-oxiran-2-yl]methanol
CID 88929555
(1S)-1-[(3R)-oxolan-3-yl]ethanol
CID 95763789
(4-tert-butylcyclohexyl)-(oxolan-3-yl)methanol
CID 65400319
1,4-dioxan-2-yl(phenyl)methanol
CID 62803674
2-amino-2-methyl-1-(oxolan-3-yl)propan-1-ol
CID 66037864
cyclopropyl(oxan-4-yl)methanol
CID 63936668

Frequently Asked Questions

What is the IUPAC name of 1,4-dioxan-2-yl(oxolan-3-yl)methanol?
The IUPAC name of 1,4-dioxan-2-yl(oxolan-3-yl)methanol (CID 65350803) is 1,4-dioxan-2-yl(oxolan-3-yl)methanol.
What is the SMILES notation for 1,4-dioxan-2-yl(oxolan-3-yl)methanol?
The canonical SMILES for 1,4-dioxan-2-yl(oxolan-3-yl)methanol is OC(C1CCOC1)C1COCCO1.
What is the InChIKey of 1,4-dioxan-2-yl(oxolan-3-yl)methanol?
The InChIKey is BHAHUNBWMWKJRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O4/c10-9(7-1-2-11-5-7)8-6-12-3-4-13-8/h7-10H,1-6H2.
What are the key properties of 1,4-dioxan-2-yl(oxolan-3-yl)methanol?
1,4-dioxan-2-yl(oxolan-3-yl)methanol has a molecular weight of 188.22 g/mol, XLogP of -0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxan-2-yl(oxolan-3-yl)methanol is sourced from PubChem (CID 65350803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).