2-butyl-4-methyl-1,3-dioxole

C8H14O2 — CID 13058516

IUPAC2-butyl-4-methyl-1,3-dioxole
SMILESCCCCC1OC=C(C)O1
InChIInChI=1S/C8H14O2/c1-3-4-5-8-9-6-7(2)10-8/h6,8H,3-5H2,1-2H3
InChIKeyJAUNJSGJNLPYAB-UHFFFAOYSA-N
MW142.20 g/mol
LogP2.41
Rot. Bonds3

About 2-butyl-4-methyl-1,3-dioxole

2-butyl-4-methyl-1,3-dioxole (PubChem CID 13058516) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 2-butyl-4-methyl-1,3-dioxole.

Molecular Properties

Compound Name2-butyl-4-methyl-1,3-dioxole
PubChem CID13058516
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name2-butyl-4-methyl-1,3-dioxole
SMILESCCCCC1OC=C(C)O1
InChIInChI=1S/C8H14O2/c1-3-4-5-8-9-6-7(2)10-8/h6,8H,3-5H2,1-2H3
InChIKeyJAUNJSGJNLPYAB-UHFFFAOYSA-N
XLogP2.41
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,6-diheptyl-1,2,4,5-tetraoxane
CID 10708512
(2S,3S)-2-butyl-3,5-dimethyl-2,3-dihydropyran-4-one
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3-butyl-1,2,4-trioxolane
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3-butyloxiran-2-one
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5-dodecyltetraoxolane
CID 175434452
2-butyl-6,8-dichloro-4H-1,3-benzodioxine
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2-butyl-4,5-dihydro-1,3-dioxepine
CID 10909817
11-undecyl-5H-benzo[d][1,3]benzodioxocine
CID 102512718
6-butyl-1,3,3-trimethylcyclohexene
CID 176917622
2-butyl-4,6-dimethyl-1,3-dioxane
CID 13357259
3,6-dibutylcyclohexa-1,4-diene
CID 90992302
2-butyl-5-isocyanato-1,3-benzodioxole
CID 88538325

Frequently Asked Questions

What is the IUPAC name of 2-butyl-4-methyl-1,3-dioxole?
The IUPAC name of 2-butyl-4-methyl-1,3-dioxole (CID 13058516) is 2-butyl-4-methyl-1,3-dioxole.
What is the SMILES notation for 2-butyl-4-methyl-1,3-dioxole?
The canonical SMILES for 2-butyl-4-methyl-1,3-dioxole is CCCCC1OC=C(C)O1.
What is the InChIKey of 2-butyl-4-methyl-1,3-dioxole?
The InChIKey is JAUNJSGJNLPYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-3-4-5-8-9-6-7(2)10-8/h6,8H,3-5H2,1-2H3.
What are the key properties of 2-butyl-4-methyl-1,3-dioxole?
2-butyl-4-methyl-1,3-dioxole has a molecular weight of 142.20 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4-methyl-1,3-dioxole is sourced from PubChem (CID 13058516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).