1,3-benzodioxole;2,3-dihydro-1-benzofuran;bis(2-methylpropane)

C23H34O3 — CID 158598846

IUPAC1,3-benzodioxole;2,3-dihydro-1-benzofuran;bis(2-methylpropane)
SMILESCC(C)C.CC(C)C.c1ccc2c(c1)CCO2.c1ccc2c(c1)OCO2
InChIInChI=1S/C8H8O.C7H6O2.2C4H10/c1-2-4-8-7(3-1)5-6-9-8;1-2-4-7-6(3-1)8-5-9-7;2*1-4(2)3/h1-4H,5-6H2;1-4H,5H2;2*4H,1-3H3
InChIKeyHVJKQAVFNNWECT-UHFFFAOYSA-N
MW358.52 g/mol
LogP6.36
Rot. Bonds

About 1,3-benzodioxole;2,3-dihydro-1-benzofuran;bis(2-methylpropane)

1,3-benzodioxole;2,3-dihydro-1-benzofuran;bis(2-methylpropane) (PubChem CID 158598846) has the molecular formula C23H34O3 and a molecular weight of 358.52 g/mol. Its IUPAC name is 1,3-benzodioxole;2,3-dihydro-1-benzofuran;bis(2-methylpropane).

Molecular Properties

Compound Name1,3-benzodioxole;2,3-dihydro-1-benzofuran;bis(2-methylpropane)
PubChem CID158598846
Molecular FormulaC23H34O3
Molecular Weight358.52 g/mol
Exact Mass358.25
IUPAC Name1,3-benzodioxole;2,3-dihydro-1-benzofuran;bis(2-methylpropane)
SMILESCC(C)C.CC(C)C.c1ccc2c(c1)CCO2.c1ccc2c(c1)OCO2
InChIInChI=1S/C8H8O.C7H6O2.2C4H10/c1-2-4-8-7(3-1)5-6-9-8;1-2-4-7-6(3-1)8-5-9-7;2*1-4(2)3/h1-4H,5-6H2;1-4H,5H2;2*4H,1-3H3
InChIKeyHVJKQAVFNNWECT-UHFFFAOYSA-N
XLogP6.36
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.52
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

CID 163793293
CID 163793293
2,3-dihydro-1-benzofuran;2,3-dihydro-1H-indene;bis(2-methylpropane)
CID 157163368
2,3-dihydro-1-benzofuran;ethane
CID 54441538
bromomethane;2,3-dihydro-1-benzofuran
CID 69259048
2,3-dihydro-1-benzofuran;bis(3,4-dihydro-2H-chromene);2,3-dihydro-1H-indene;ethane;pentakis(2-methylpropane);1,2,3,4-tetrahydronaphthalene
CID 158647803
2,3-dihydro-1-benzofuran;ethane;propane
CID 91022099
3,4-dihydro-2H-chromene;ethane
CID 91076984
3,4-dihydro-2H-chromene;N,N-dimethylmethanamine
CID 174740760
deuterium monohydride;2,3-dihydro-1-benzofuran;2,3-dihydro-1H-indene;ethane;ethene;methane
CID 162269581
benzene;1,3-benzodioxole
CID 158998325
1,3-benzodioxole;hydrobromide
CID 172797493
1-chloropentane;2,3-dihydro-1-benzofuran
CID 175276698

Frequently Asked Questions

What is the IUPAC name of 1,3-benzodioxole;2,3-dihydro-1-benzofuran;bis(2-methylpropane)?
The IUPAC name of 1,3-benzodioxole;2,3-dihydro-1-benzofuran;bis(2-methylpropane) (CID 158598846) is 1,3-benzodioxole;2,3-dihydro-1-benzofuran;bis(2-methylpropane).
What is the SMILES notation for 1,3-benzodioxole;2,3-dihydro-1-benzofuran;bis(2-methylpropane)?
The canonical SMILES for 1,3-benzodioxole;2,3-dihydro-1-benzofuran;bis(2-methylpropane) is CC(C)C.CC(C)C.c1ccc2c(c1)CCO2.c1ccc2c(c1)OCO2.
What is the InChIKey of 1,3-benzodioxole;2,3-dihydro-1-benzofuran;bis(2-methylpropane)?
The InChIKey is HVJKQAVFNNWECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O.C7H6O2.2C4H10/c1-2-4-8-7(3-1)5-6-9-8;1-2-4-7-6(3-1)8-5-9-7;2*1-4(2)3/h1-4H,5-6H2;1-4H,5H2;2*4H,1-3H3.
What are the key properties of 1,3-benzodioxole;2,3-dihydro-1-benzofuran;bis(2-methylpropane)?
1,3-benzodioxole;2,3-dihydro-1-benzofuran;bis(2-methylpropane) has a molecular weight of 358.52 g/mol, XLogP of 6.36, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzodioxole;2,3-dihydro-1-benzofuran;bis(2-methylpropane) is sourced from PubChem (CID 158598846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).