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

C10H14O2 — CID 142011914

IUPAC5-propyl-3a,4-dihydro-1,3-benzodioxole
SMILESCCCC1=CC=C2OCOC2C1
InChIInChI=1S/C10H14O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h4-5,10H,2-3,6-7H2,1H3
InChIKeyVHZIYEMTNRNWSH-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.37
Rot. Bonds2

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

5-propyl-3a,4-dihydro-1,3-benzodioxole (PubChem CID 142011914) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 5-propyl-3a,4-dihydro-1,3-benzodioxole.

Molecular Properties

Compound Name5-propyl-3a,4-dihydro-1,3-benzodioxole
PubChem CID142011914
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name5-propyl-3a,4-dihydro-1,3-benzodioxole
SMILESCCCC1=CC=C2OCOC2C1
InChIInChI=1S/C10H14O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h4-5,10H,2-3,6-7H2,1H3
InChIKeyVHZIYEMTNRNWSH-UHFFFAOYSA-N
XLogP2.37
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 ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-propyl-3a,4-dihydro-1,3-benzodioxole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,4-dipropylcyclopenta-1,3-diene
CID 19391248
1-methyl-4-propylcyclopenta-1,3-diene
CID 18798459
4,5-dimethoxy-1-propylcyclohexa-1,3-diene
CID 142112268
1-ethyl-4-propylcyclopenta-1,3-diene
CID 139667468
(9aS)-8-propyl-9,9a-dihydrobenzo[e][1]benzofuran
CID 100992458
4-propylcyclohexa-1,3-dien-1-ol
CID 129018446
1-fluoro-4-propylcyclohexa-1,3-diene
CID 89167431
2-(5,6-difluoro-2,3-dihydro-1H-inden-2-yl)-5-propyl-3,6-dihydro-2H-pyran
CID 71120419
4,5-ditert-butyl-1-propylcyclohexene
CID 59036734
4-methyl-6-octyl-4H-1,3-dioxine
CID 14017438
1,4-dihexyl-5-propylcyclohexa-1,3-diene
CID 177419240
5-butylcyclohexa-2,4-dien-1-amine
CID 146424387

Frequently Asked Questions

What is the IUPAC name of 5-propyl-3a,4-dihydro-1,3-benzodioxole?
The IUPAC name of 5-propyl-3a,4-dihydro-1,3-benzodioxole (CID 142011914) is 5-propyl-3a,4-dihydro-1,3-benzodioxole.
What is the SMILES notation for 5-propyl-3a,4-dihydro-1,3-benzodioxole?
The canonical SMILES for 5-propyl-3a,4-dihydro-1,3-benzodioxole is CCCC1=CC=C2OCOC2C1.
What is the InChIKey of 5-propyl-3a,4-dihydro-1,3-benzodioxole?
The InChIKey is VHZIYEMTNRNWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h4-5,10H,2-3,6-7H2,1H3.
What are the key properties of 5-propyl-3a,4-dihydro-1,3-benzodioxole?
5-propyl-3a,4-dihydro-1,3-benzodioxole has a molecular weight of 166.22 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-3a,4-dihydro-1,3-benzodioxole is sourced from PubChem (CID 142011914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).