5-(4,4-dimethylhex-5-enyl)-1,3-benzodioxole

C15H20O2 — CID 71361317

IUPAC5-(4,4-dimethylhex-5-enyl)-1,3-benzodioxole
SMILESC=CC(C)(C)CCCc1ccc2c(c1)OCO2
InChIInChI=1S/C15H20O2/c1-4-15(2,3)9-5-6-12-7-8-13-14(10-12)17-11-16-13/h4,7-8,10H,1,5-6,9,11H2,2-3H3
InChIKeyIHMNTQCUAJQGEX-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.95
Rot. Bonds5

About 5-(4,4-dimethylhex-5-enyl)-1,3-benzodioxole

5-(4,4-dimethylhex-5-enyl)-1,3-benzodioxole (PubChem CID 71361317) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 5-(4,4-dimethylhex-5-enyl)-1,3-benzodioxole.

Molecular Properties

Compound Name5-(4,4-dimethylhex-5-enyl)-1,3-benzodioxole
PubChem CID71361317
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name5-(4,4-dimethylhex-5-enyl)-1,3-benzodioxole
SMILESC=CC(C)(C)CCCc1ccc2c(c1)OCO2
InChIInChI=1S/C15H20O2/c1-4-15(2,3)9-5-6-12-7-8-13-14(10-12)17-11-16-13/h4,7-8,10H,1,5-6,9,11H2,2-3H3
InChIKeyIHMNTQCUAJQGEX-UHFFFAOYSA-N
XLogP3.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4,4-dimethylhex-5-enyl)-1,3-benzodioxole?
The IUPAC name of 5-(4,4-dimethylhex-5-enyl)-1,3-benzodioxole (CID 71361317) is 5-(4,4-dimethylhex-5-enyl)-1,3-benzodioxole.
What is the SMILES notation for 5-(4,4-dimethylhex-5-enyl)-1,3-benzodioxole?
The canonical SMILES for 5-(4,4-dimethylhex-5-enyl)-1,3-benzodioxole is C=CC(C)(C)CCCc1ccc2c(c1)OCO2.
What is the InChIKey of 5-(4,4-dimethylhex-5-enyl)-1,3-benzodioxole?
The InChIKey is IHMNTQCUAJQGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-4-15(2,3)9-5-6-12-7-8-13-14(10-12)17-11-16-13/h4,7-8,10H,1,5-6,9,11H2,2-3H3.
What are the key properties of 5-(4,4-dimethylhex-5-enyl)-1,3-benzodioxole?
5-(4,4-dimethylhex-5-enyl)-1,3-benzodioxole has a molecular weight of 232.32 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,4-dimethylhex-5-enyl)-1,3-benzodioxole is sourced from PubChem (CID 71361317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).