5-[5-(2,2-dimethylcyclopropyl)-3-methylpent-2-enoxy]-1,3-benzodioxole

C18H24O3 — CID 70122710

IUPAC5-[5-(2,2-dimethylcyclopropyl)-3-methylpent-2-enoxy]-1,3-benzodioxole
SMILESCC(=CCOc1ccc2c(c1)OCO2)CCC1CC1(C)C
InChIInChI=1S/C18H24O3/c1-13(4-5-14-11-18(14,2)3)8-9-19-15-6-7-16-17(10-15)21-12-20-16/h6-8,10,14H,4-5,9,11-12H2,1-3H3
InChIKeyYIRRZOZKDUXAPS-UHFFFAOYSA-N
MW288.39 g/mol
LogP4.57
Rot. Bonds6

About 5-[5-(2,2-dimethylcyclopropyl)-3-methylpent-2-enoxy]-1,3-benzodioxole

5-[5-(2,2-dimethylcyclopropyl)-3-methylpent-2-enoxy]-1,3-benzodioxole (PubChem CID 70122710) has the molecular formula C18H24O3 and a molecular weight of 288.39 g/mol. Its IUPAC name is 5-[5-(2,2-dimethylcyclopropyl)-3-methylpent-2-enoxy]-1,3-benzodioxole.

Molecular Properties

Compound Name5-[5-(2,2-dimethylcyclopropyl)-3-methylpent-2-enoxy]-1,3-benzodioxole
PubChem CID70122710
Molecular FormulaC18H24O3
Molecular Weight288.39 g/mol
Exact Mass288.17
IUPAC Name5-[5-(2,2-dimethylcyclopropyl)-3-methylpent-2-enoxy]-1,3-benzodioxole
SMILESCC(=CCOc1ccc2c(c1)OCO2)CCC1CC1(C)C
InChIInChI=1S/C18H24O3/c1-13(4-5-14-11-18(14,2)3)8-9-19-15-6-7-16-17(10-15)21-12-20-16/h6-8,10,14H,4-5,9,11-12H2,1-3H3
InChIKeyYIRRZOZKDUXAPS-UHFFFAOYSA-N
XLogP4.57
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(3-methyl-5-pentan-3-yloxypent-2-enoxy)-1,3-benzodioxole
CID 154193308
7-[5-(3-ethyl-3-methyloxiran-2-yl)-3-methylpent-2-enoxy]-3,4-dihydro-2H-chromene
CID 54081276
6-[3-methyl-5-[3-methyl-3-(2-methylpropyl)oxiran-2-yl]pent-2-enoxy]-2,3-dihydro-1-benzofuran
CID 54207005
3,3-dimethyl-6-[(2E)-3,6,7-trimethylocta-2,6-dienoxy]-2H-1-benzofuran
CID 70638481
(E)-4-(1,3-benzodioxol-5-yloxy)but-2-enoic acid
CID 62343893
(2R)-1-(1,3-benzodioxol-5-yloxy)butan-2-ol
CID 164702589
7-[(E)-5-[(1S,3S,4S)-3,4-dihydroxy-2,2,4-trimethylcyclohexyl]-3-methylpent-2-enoxy]chromen-2-one
CID 122369880
3,7-dimethylocta-2,6-dienyl 1,3-benzodioxole-5-carboxylate
CID 71372413
1,3-benzodioxol-5-yl 3-(1,3-benzodioxol-5-yloxy)propanoate
CID 155681715
2-ethyl-2-methyl-3-(3-methyl-5-phenoxypent-3-enyl)oxirane
CID 163620359
5-(2-methylpropoxy)-1,3-benzodioxole
CID 59144833
2-methyl-6-[(2E)-3,6,7-trimethylocta-2,6-dienoxy]-2,3-dihydro-1-benzofuran
CID 21485171

Frequently Asked Questions

What is the IUPAC name of 5-[5-(2,2-dimethylcyclopropyl)-3-methylpent-2-enoxy]-1,3-benzodioxole?
The IUPAC name of 5-[5-(2,2-dimethylcyclopropyl)-3-methylpent-2-enoxy]-1,3-benzodioxole (CID 70122710) is 5-[5-(2,2-dimethylcyclopropyl)-3-methylpent-2-enoxy]-1,3-benzodioxole.
What is the SMILES notation for 5-[5-(2,2-dimethylcyclopropyl)-3-methylpent-2-enoxy]-1,3-benzodioxole?
The canonical SMILES for 5-[5-(2,2-dimethylcyclopropyl)-3-methylpent-2-enoxy]-1,3-benzodioxole is CC(=CCOc1ccc2c(c1)OCO2)CCC1CC1(C)C.
What is the InChIKey of 5-[5-(2,2-dimethylcyclopropyl)-3-methylpent-2-enoxy]-1,3-benzodioxole?
The InChIKey is YIRRZOZKDUXAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O3/c1-13(4-5-14-11-18(14,2)3)8-9-19-15-6-7-16-17(10-15)21-12-20-16/h6-8,10,14H,4-5,9,11-12H2,1-3H3.
What are the key properties of 5-[5-(2,2-dimethylcyclopropyl)-3-methylpent-2-enoxy]-1,3-benzodioxole?
5-[5-(2,2-dimethylcyclopropyl)-3-methylpent-2-enoxy]-1,3-benzodioxole has a molecular weight of 288.39 g/mol, XLogP of 4.57, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(2,2-dimethylcyclopropyl)-3-methylpent-2-enoxy]-1,3-benzodioxole is sourced from PubChem (CID 70122710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).