2-[(2-methyl-1,3-dioxolan-4-yl)oxy]butan-1-ol

C8H16O4 — CID 138705293

IUPAC2-[(2-methyl-1,3-dioxolan-4-yl)oxy]butan-1-ol
SMILESCCC(CO)OC1COC(C)O1
InChIInChI=1S/C8H16O4/c1-3-7(4-9)12-8-5-10-6(2)11-8/h6-9H,3-5H2,1-2H3
InChIKeyUSKFOLGGVSGOGM-UHFFFAOYSA-N
MW176.21 g/mol
LogP0.49
Rot. Bonds4

About 2-[(2-methyl-1,3-dioxolan-4-yl)oxy]butan-1-ol

2-[(2-methyl-1,3-dioxolan-4-yl)oxy]butan-1-ol (PubChem CID 138705293) has the molecular formula C8H16O4 and a molecular weight of 176.21 g/mol. Its IUPAC name is 2-[(2-methyl-1,3-dioxolan-4-yl)oxy]butan-1-ol.

Molecular Properties

Compound Name2-[(2-methyl-1,3-dioxolan-4-yl)oxy]butan-1-ol
PubChem CID138705293
Molecular FormulaC8H16O4
Molecular Weight176.21 g/mol
Exact Mass176.10
IUPAC Name2-[(2-methyl-1,3-dioxolan-4-yl)oxy]butan-1-ol
SMILESCCC(CO)OC1COC(C)O1
InChIInChI=1S/C8H16O4/c1-3-7(4-9)12-8-5-10-6(2)11-8/h6-9H,3-5H2,1-2H3
InChIKeyUSKFOLGGVSGOGM-UHFFFAOYSA-N
XLogP0.49
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-ethyl-1,3-dioxolan-2-yl)ethoxy]butan-1-ol
CID 45095328
[(2R,4R)-2-methyl-1,3-dioxolan-4-yl]methanol
CID 12832915
(2-methyl-1,3-dioxolan-4-yl) formate
CID 175326174
4-(diethoxymethyl)-2-methyl-1,3-dioxolane
CID 54005776
(2R,3R,4S,5R)-2-pentan-3-yloxyoxane-3,4,5-triol
CID 70508112
1-(2,6-dimethyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl)ethane-1,2-diol
CID 3617170
4-(hydroxymethyl)-2-methyl-1,3-dioxan-5-ol
CID 14134374
(2S)-2-ethoxybutan-1-ol
CID 89167253
ethane;2-methoxybutan-1-ol
CID 174440725
4-fluoro-2-methyl-1,3-dioxolane
CID 137456725
(2S,4R)-2-methyl-4-propyl-1,3-dioxolane
CID 131847771
[2-[(4S)-2-methyl-1,3-dioxolan-4-yl]-2-oxoethyl] 2,3,3,3-tetrafluoropropanoate
CID 156841884

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-1,3-dioxolan-4-yl)oxy]butan-1-ol?
The IUPAC name of 2-[(2-methyl-1,3-dioxolan-4-yl)oxy]butan-1-ol (CID 138705293) is 2-[(2-methyl-1,3-dioxolan-4-yl)oxy]butan-1-ol.
What is the SMILES notation for 2-[(2-methyl-1,3-dioxolan-4-yl)oxy]butan-1-ol?
The canonical SMILES for 2-[(2-methyl-1,3-dioxolan-4-yl)oxy]butan-1-ol is CCC(CO)OC1COC(C)O1.
What is the InChIKey of 2-[(2-methyl-1,3-dioxolan-4-yl)oxy]butan-1-ol?
The InChIKey is USKFOLGGVSGOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O4/c1-3-7(4-9)12-8-5-10-6(2)11-8/h6-9H,3-5H2,1-2H3.
What are the key properties of 2-[(2-methyl-1,3-dioxolan-4-yl)oxy]butan-1-ol?
2-[(2-methyl-1,3-dioxolan-4-yl)oxy]butan-1-ol has a molecular weight of 176.21 g/mol, XLogP of 0.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-1,3-dioxolan-4-yl)oxy]butan-1-ol is sourced from PubChem (CID 138705293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).