5-butan-2-yl-2-propan-2-yloxy-1,3-benzodioxole

C14H20O3 — CID 142309903

IUPAC5-butan-2-yl-2-propan-2-yloxy-1,3-benzodioxole
SMILESCCC(C)c1ccc2c(c1)OC(OC(C)C)O2
InChIInChI=1S/C14H20O3/c1-5-10(4)11-6-7-12-13(8-11)17-14(16-12)15-9(2)3/h6-10,14H,5H2,1-4H3
InChIKeyJHCGWSVFROMXNN-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.68
Rot. Bonds4

About 5-butan-2-yl-2-propan-2-yloxy-1,3-benzodioxole

5-butan-2-yl-2-propan-2-yloxy-1,3-benzodioxole (PubChem CID 142309903) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 5-butan-2-yl-2-propan-2-yloxy-1,3-benzodioxole.

Molecular Properties

Compound Name5-butan-2-yl-2-propan-2-yloxy-1,3-benzodioxole
PubChem CID142309903
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name5-butan-2-yl-2-propan-2-yloxy-1,3-benzodioxole
SMILESCCC(C)c1ccc2c(c1)OC(OC(C)C)O2
InChIInChI=1S/C14H20O3/c1-5-10(4)11-6-7-12-13(8-11)17-14(16-12)15-9(2)3/h6-10,14H,5H2,1-4H3
InChIKeyJHCGWSVFROMXNN-UHFFFAOYSA-N
XLogP3.68
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(2S)-butan-2-yl]-2,3-dihydro-1,4-benzodioxine
CID 89291173
4-butan-2-yl-1,2-dimethoxybenzene
CID 54391207
5-butan-2-yl-2,3-dihydro-1-benzofuran
CID 89176252
5-butan-2-yl-2-ethyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 107667198
5-butan-2-yl-N-ethyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 107667200
4-[(2R)-butan-2-yl]-1,2-dichlorobenzene
CID 118120399
1-butan-2-yl-4-propan-2-yloxybenzene
CID 18730967
4-butan-2-yl-1,2-dichlorobenzene
CID 22095706
5-butan-2-yl-2-(4-butan-2-yl-2-hydroxyphenyl)phenol
CID 66659271
6-butan-2-ylbenzo[f][1,3]benzodioxole
CID 142309916
1,4-di(butan-2-yl)-2-methylbenzene
CID 58616694
4-butan-2-yl-2-(methoxymethyl)phenol;ethane
CID 145144521

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-2-propan-2-yloxy-1,3-benzodioxole?
The IUPAC name of 5-butan-2-yl-2-propan-2-yloxy-1,3-benzodioxole (CID 142309903) is 5-butan-2-yl-2-propan-2-yloxy-1,3-benzodioxole.
What is the SMILES notation for 5-butan-2-yl-2-propan-2-yloxy-1,3-benzodioxole?
The canonical SMILES for 5-butan-2-yl-2-propan-2-yloxy-1,3-benzodioxole is CCC(C)c1ccc2c(c1)OC(OC(C)C)O2.
What is the InChIKey of 5-butan-2-yl-2-propan-2-yloxy-1,3-benzodioxole?
The InChIKey is JHCGWSVFROMXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-5-10(4)11-6-7-12-13(8-11)17-14(16-12)15-9(2)3/h6-10,14H,5H2,1-4H3.
What are the key properties of 5-butan-2-yl-2-propan-2-yloxy-1,3-benzodioxole?
5-butan-2-yl-2-propan-2-yloxy-1,3-benzodioxole has a molecular weight of 236.31 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-2-propan-2-yloxy-1,3-benzodioxole is sourced from PubChem (CID 142309903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).