5-(6-propan-2-yloxyhexoxymethyl)-1,3-benzodioxole

C17H26O4 — CID 163959918

IUPAC5-(6-propan-2-yloxyhexoxymethyl)-1,3-benzodioxole
SMILESCC(C)OCCCCCCOCc1ccc2c(c1)OCO2
InChIInChI=1S/C17H26O4/c1-14(2)19-10-6-4-3-5-9-18-12-15-7-8-16-17(11-15)21-13-20-16/h7-8,11,14H,3-6,9-10,12-13H2,1-2H3
InChIKeySGOJOAARWRSEEK-UHFFFAOYSA-N
MW294.39 g/mol
LogP3.92
Rot. Bonds10

About 5-(6-propan-2-yloxyhexoxymethyl)-1,3-benzodioxole

5-(6-propan-2-yloxyhexoxymethyl)-1,3-benzodioxole (PubChem CID 163959918) has the molecular formula C17H26O4 and a molecular weight of 294.39 g/mol. Its IUPAC name is 5-(6-propan-2-yloxyhexoxymethyl)-1,3-benzodioxole.

Molecular Properties

Compound Name5-(6-propan-2-yloxyhexoxymethyl)-1,3-benzodioxole
PubChem CID163959918
Molecular FormulaC17H26O4
Molecular Weight294.39 g/mol
Exact Mass294.18
IUPAC Name5-(6-propan-2-yloxyhexoxymethyl)-1,3-benzodioxole
SMILESCC(C)OCCCCCCOCc1ccc2c(c1)OCO2
InChIInChI=1S/C17H26O4/c1-14(2)19-10-6-4-3-5-9-18-12-15-7-8-16-17(11-15)21-13-20-16/h7-8,11,14H,3-6,9-10,12-13H2,1-2H3
InChIKeySGOJOAARWRSEEK-UHFFFAOYSA-N
XLogP3.92
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 53.92
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

5-(1,3-benzodioxol-5-ylmethoxy)pentan-1-amine
CID 54966297
5-(propoxymethyl)-1,3-benzodioxole
CID 10262036
5-(1,3-benzodioxol-5-ylmethoxy)-N-propylpentan-1-amine
CID 62445733
3-(1,3-benzodioxol-5-ylmethoxy)-N-ethylpropan-1-amine
CID 62445902
N-[3-(1,3-benzodioxol-5-ylmethoxy)propyl]cyclopropanamine
CID 62445720
1-(1,3-benzodioxol-5-yl)-3-propan-2-yloxypropan-2-ol
CID 12997542
5-[2-(trideuteriomethoxy)ethoxymethyl]-1,3-benzodioxole
CID 171395116
5-(methoxymethoxymethyl)-1,3-benzodioxole
CID 20689919
6-(4-bromobutoxymethyl)-2,3-dihydro-1,4-benzodioxine
CID 54195828
5-(difluoromethoxymethyl)-1,3-benzodioxole
CID 162716617
5-(2-methoxyethoxymethoxymethyl)-1,3-benzodioxole
CID 13257944
4-(1,3-benzodioxol-5-ylmethoxy)pentan-1-amine
CID 62445906

Frequently Asked Questions

What is the IUPAC name of 5-(6-propan-2-yloxyhexoxymethyl)-1,3-benzodioxole?
The IUPAC name of 5-(6-propan-2-yloxyhexoxymethyl)-1,3-benzodioxole (CID 163959918) is 5-(6-propan-2-yloxyhexoxymethyl)-1,3-benzodioxole.
What is the SMILES notation for 5-(6-propan-2-yloxyhexoxymethyl)-1,3-benzodioxole?
The canonical SMILES for 5-(6-propan-2-yloxyhexoxymethyl)-1,3-benzodioxole is CC(C)OCCCCCCOCc1ccc2c(c1)OCO2.
What is the InChIKey of 5-(6-propan-2-yloxyhexoxymethyl)-1,3-benzodioxole?
The InChIKey is SGOJOAARWRSEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O4/c1-14(2)19-10-6-4-3-5-9-18-12-15-7-8-16-17(11-15)21-13-20-16/h7-8,11,14H,3-6,9-10,12-13H2,1-2H3.
What are the key properties of 5-(6-propan-2-yloxyhexoxymethyl)-1,3-benzodioxole?
5-(6-propan-2-yloxyhexoxymethyl)-1,3-benzodioxole has a molecular weight of 294.39 g/mol, XLogP of 3.92, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-propan-2-yloxyhexoxymethyl)-1,3-benzodioxole is sourced from PubChem (CID 163959918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).