6-propyl-4,5-dihydro-1,3-benzodioxole

C10H14O2 — CID 149480624

IUPAC6-propyl-4,5-dihydro-1,3-benzodioxole
SMILESCCCC1=CC2=C(CC1)OCO2
InChIInChI=1S/C10H14O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h6H,2-5,7H2,1H3
InChIKeyPZUMMYBARXMIOE-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.72
Rot. Bonds2

About 6-propyl-4,5-dihydro-1,3-benzodioxole

6-propyl-4,5-dihydro-1,3-benzodioxole (PubChem CID 149480624) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 6-propyl-4,5-dihydro-1,3-benzodioxole.

Molecular Properties

Compound Name6-propyl-4,5-dihydro-1,3-benzodioxole
PubChem CID149480624
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name6-propyl-4,5-dihydro-1,3-benzodioxole
SMILESCCCC1=CC2=C(CC1)OCO2
InChIInChI=1S/C10H14O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h6H,2-5,7H2,1H3
InChIKeyPZUMMYBARXMIOE-UHFFFAOYSA-N
XLogP2.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-propyl-4,5-dihydro-1,3-benzodioxole?
The IUPAC name of 6-propyl-4,5-dihydro-1,3-benzodioxole (CID 149480624) is 6-propyl-4,5-dihydro-1,3-benzodioxole.
What is the SMILES notation for 6-propyl-4,5-dihydro-1,3-benzodioxole?
The canonical SMILES for 6-propyl-4,5-dihydro-1,3-benzodioxole is CCCC1=CC2=C(CC1)OCO2.
What is the InChIKey of 6-propyl-4,5-dihydro-1,3-benzodioxole?
The InChIKey is PZUMMYBARXMIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h6H,2-5,7H2,1H3.
What are the key properties of 6-propyl-4,5-dihydro-1,3-benzodioxole?
6-propyl-4,5-dihydro-1,3-benzodioxole has a molecular weight of 166.22 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propyl-4,5-dihydro-1,3-benzodioxole is sourced from PubChem (CID 149480624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).