4-methyl-2-propoxy-1,3-dioxolane

C7H14O3 — CID 88804523

IUPAC4-methyl-2-propoxy-1,3-dioxolane
SMILESCCCOC1OCC(C)O1
InChIInChI=1S/C7H14O3/c1-3-4-8-7-9-5-6(2)10-7/h6-7H,3-5H2,1-2H3
InChIKeyJOJJHZWLYQPYDX-UHFFFAOYSA-N
MW146.19 g/mol
LogP1.13
Rot. Bonds3

About 4-methyl-2-propoxy-1,3-dioxolane

4-methyl-2-propoxy-1,3-dioxolane (PubChem CID 88804523) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is 4-methyl-2-propoxy-1,3-dioxolane.

Molecular Properties

Compound Name4-methyl-2-propoxy-1,3-dioxolane
PubChem CID88804523
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Name4-methyl-2-propoxy-1,3-dioxolane
SMILESCCCOC1OCC(C)O1
InChIInChI=1S/C7H14O3/c1-3-4-8-7-9-5-6(2)10-7/h6-7H,3-5H2,1-2H3
InChIKeyJOJJHZWLYQPYDX-UHFFFAOYSA-N
XLogP1.13
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-propoxy-4-[(2-propoxy-1,3-dioxolan-4-yl)methoxymethyl]-1,3-dioxolane
CID 171415370
(2R,4R)-4-(chloromethyl)-2-propoxy-1,3-dioxolane
CID 131230379
2-methyloxirane;1-methylsulfanyloxypropane
CID 158308551
2,4-dimethyl-6-propoxy-1,3-dioxane
CID 89315667
(2S)-2-ethyl-4-methyl-1,3-dioxolane
CID 59047916
3-propoxyoxolane
CID 14071397
(2S,4R,6S)-2-methyl-6-propan-2-yloxy-4-propoxyoxane
CID 164538174
2,6-dipropoxyoxane
CID 524398
4-ethenyl-2-ethoxy-1,3-dioxolane
CID 22891802
(2S,4R)-4-methyl-2-nonyl-1,3-dioxolane
CID 76959550
(2R,4R)-4-methyl-2-octyl-1,3-dioxolane
CID 76956297
(2R,3R,4S,5S)-2-propoxyoxane-3,4,5-triol
CID 130756919

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-propoxy-1,3-dioxolane?
The IUPAC name of 4-methyl-2-propoxy-1,3-dioxolane (CID 88804523) is 4-methyl-2-propoxy-1,3-dioxolane.
What is the SMILES notation for 4-methyl-2-propoxy-1,3-dioxolane?
The canonical SMILES for 4-methyl-2-propoxy-1,3-dioxolane is CCCOC1OCC(C)O1.
What is the InChIKey of 4-methyl-2-propoxy-1,3-dioxolane?
The InChIKey is JOJJHZWLYQPYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3/c1-3-4-8-7-9-5-6(2)10-7/h6-7H,3-5H2,1-2H3.
What are the key properties of 4-methyl-2-propoxy-1,3-dioxolane?
4-methyl-2-propoxy-1,3-dioxolane has a molecular weight of 146.19 g/mol, XLogP of 1.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-propoxy-1,3-dioxolane is sourced from PubChem (CID 88804523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).