5-(1-methylcyclobutyl)-1,3-benzodioxole

C12H14O2 — CID 130983520

IUPAC5-(1-methylcyclobutyl)-1,3-benzodioxole
SMILESCC1(c2ccc3c(c2)OCO3)CCC1
InChIInChI=1S/C12H14O2/c1-12(5-2-6-12)9-3-4-10-11(7-9)14-8-13-10/h3-4,7H,2,5-6,8H2,1H3
InChIKeyUDZIQRLJEGMXIS-UHFFFAOYSA-N
MW190.24 g/mol
LogP2.86
Rot. Bonds1

About 5-(1-methylcyclobutyl)-1,3-benzodioxole

5-(1-methylcyclobutyl)-1,3-benzodioxole (PubChem CID 130983520) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 5-(1-methylcyclobutyl)-1,3-benzodioxole.

Molecular Properties

Compound Name5-(1-methylcyclobutyl)-1,3-benzodioxole
PubChem CID130983520
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name5-(1-methylcyclobutyl)-1,3-benzodioxole
SMILESCC1(c2ccc3c(c2)OCO3)CCC1
InChIInChI=1S/C12H14O2/c1-12(5-2-6-12)9-3-4-10-11(7-9)14-8-13-10/h3-4,7H,2,5-6,8H2,1H3
InChIKeyUDZIQRLJEGMXIS-UHFFFAOYSA-N
XLogP2.86
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1,3-benzodioxol-5-yl)-3-methylpiperidine
CID 82285836
4-(1,3-benzodioxol-5-yl)-4-methylpiperidine-2,6-dione
CID 63156117
2-[1-(1,3-benzodioxol-5-yl)cyclobutyl]acetonitrile
CID 54471078
[1-(1,3-benzodioxol-5-yl)-2,2-dimethylcyclopropyl]methanol
CID 116842630
2-(1,3-benzodioxol-5-yl)spiro[3.6]decan-2-amine
CID 65007449
1-[1-(1,3-benzodioxol-5-yl)cyclohexyl]piperidine
CID 165360308
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methylcyclopentan-1-one
CID 116538559
1-(1,3-benzodioxol-5-yl)cyclohex-2-en-1-ol
CID 10398467
1-(1,3-benzodioxol-5-yl)-3,3-dimethylcyclobutane-1-carboxylic acid
CID 65000121
4-(1,3-benzodioxol-5-yl)-4-fluoropiperidine
CID 83822990
3-(1,3-benzodioxol-5-yl)oxetan-3-ol
CID 75406892
2-(1,3-benzodioxol-5-yl)-2-methyl-3,4-dihydro-1H-quinoline
CID 175106521

Frequently Asked Questions

What is the IUPAC name of 5-(1-methylcyclobutyl)-1,3-benzodioxole?
The IUPAC name of 5-(1-methylcyclobutyl)-1,3-benzodioxole (CID 130983520) is 5-(1-methylcyclobutyl)-1,3-benzodioxole.
What is the SMILES notation for 5-(1-methylcyclobutyl)-1,3-benzodioxole?
The canonical SMILES for 5-(1-methylcyclobutyl)-1,3-benzodioxole is CC1(c2ccc3c(c2)OCO3)CCC1.
What is the InChIKey of 5-(1-methylcyclobutyl)-1,3-benzodioxole?
The InChIKey is UDZIQRLJEGMXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c1-12(5-2-6-12)9-3-4-10-11(7-9)14-8-13-10/h3-4,7H,2,5-6,8H2,1H3.
What are the key properties of 5-(1-methylcyclobutyl)-1,3-benzodioxole?
5-(1-methylcyclobutyl)-1,3-benzodioxole has a molecular weight of 190.24 g/mol, XLogP of 2.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylcyclobutyl)-1,3-benzodioxole is sourced from PubChem (CID 130983520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).