4-(2-butan-2-yloxyethoxy)-1,3-benzodioxole

C13H18O4 — CID 22974648

IUPAC4-(2-butan-2-yloxyethoxy)-1,3-benzodioxole
SMILESCCC(C)OCCOc1cccc2c1OCO2
InChIInChI=1S/C13H18O4/c1-3-10(2)14-7-8-15-11-5-4-6-12-13(11)17-9-16-12/h4-6,10H,3,7-9H2,1-2H3
InChIKeyHSKZAMPIWOHROK-UHFFFAOYSA-N
MW238.28 g/mol
LogP2.61
Rot. Bonds6

About 4-(2-butan-2-yloxyethoxy)-1,3-benzodioxole

4-(2-butan-2-yloxyethoxy)-1,3-benzodioxole (PubChem CID 22974648) has the molecular formula C13H18O4 and a molecular weight of 238.28 g/mol. Its IUPAC name is 4-(2-butan-2-yloxyethoxy)-1,3-benzodioxole.

Molecular Properties

Compound Name4-(2-butan-2-yloxyethoxy)-1,3-benzodioxole
PubChem CID22974648
Molecular FormulaC13H18O4
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Name4-(2-butan-2-yloxyethoxy)-1,3-benzodioxole
SMILESCCC(C)OCCOc1cccc2c1OCO2
InChIInChI=1S/C13H18O4/c1-3-10(2)14-7-8-15-11-5-4-6-12-13(11)17-9-16-12/h4-6,10H,3,7-9H2,1-2H3
InChIKeyHSKZAMPIWOHROK-UHFFFAOYSA-N
XLogP2.61
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(1,3-benzodioxol-4-yloxy)butanoic acid
CID 151190632
4-phenylmethoxy-1,3-benzodioxole
CID 14180566
1,3-benzodioxol-4-yl 2-iodobutanoate
CID 137452845
N-[3-(1,3-benzodioxol-4-yloxy)propyl]aniline;hydrochloride
CID 169103310
[2-(2-butan-2-yloxyethoxy)phenyl]methanamine
CID 60903164
N-[2-(1,3-benzodioxol-4-yloxy)ethyl]-2,3-dihydro-1H-inden-2-amine
CID 23373810
3-(2,3-dihydro-1,4-benzodioxin-5-yloxy)-N-ethylpropan-1-amine chloride
CID 21228871
N-[3-(1,3-benzodioxol-4-yloxy)propyl]-2,3-dihydro-1H-inden-2-amine
CID 23373762
1-(2-butan-2-yloxyethoxy)-4-naphthalen-1-ylnaphthalene
CID 22974646
1-(1,3-benzodioxol-4-yl)-N,N-dimethylpropan-2-amine
CID 101045626
1-(1,3-benzodioxol-4-yl)propan-1-amine
CID 55283444
2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)ethyl methanesulfonate
CID 87870295

Frequently Asked Questions

What is the IUPAC name of 4-(2-butan-2-yloxyethoxy)-1,3-benzodioxole?
The IUPAC name of 4-(2-butan-2-yloxyethoxy)-1,3-benzodioxole (CID 22974648) is 4-(2-butan-2-yloxyethoxy)-1,3-benzodioxole.
What is the SMILES notation for 4-(2-butan-2-yloxyethoxy)-1,3-benzodioxole?
The canonical SMILES for 4-(2-butan-2-yloxyethoxy)-1,3-benzodioxole is CCC(C)OCCOc1cccc2c1OCO2.
What is the InChIKey of 4-(2-butan-2-yloxyethoxy)-1,3-benzodioxole?
The InChIKey is HSKZAMPIWOHROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O4/c1-3-10(2)14-7-8-15-11-5-4-6-12-13(11)17-9-16-12/h4-6,10H,3,7-9H2,1-2H3.
What are the key properties of 4-(2-butan-2-yloxyethoxy)-1,3-benzodioxole?
4-(2-butan-2-yloxyethoxy)-1,3-benzodioxole has a molecular weight of 238.28 g/mol, XLogP of 2.61, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-butan-2-yloxyethoxy)-1,3-benzodioxole is sourced from PubChem (CID 22974648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).