5-(3-methyl-5-pentan-3-yloxypent-2-enoxy)-1,3-benzodioxole

C18H26O4 — CID 154193308

IUPAC5-(3-methyl-5-pentan-3-yloxypent-2-enoxy)-1,3-benzodioxole
SMILESCCC(CC)OCCC(C)=CCOc1ccc2c(c1)OCO2
InChIInChI=1S/C18H26O4/c1-4-15(5-2)19-10-8-14(3)9-11-20-16-6-7-17-18(12-16)22-13-21-17/h6-7,9,12,15H,4-5,8,10-11,13H2,1-3H3
InChIKeyNHPSVSMERRBVJX-UHFFFAOYSA-N
MW306.40 g/mol
LogP4.34
Rot. Bonds9

About 5-(3-methyl-5-pentan-3-yloxypent-2-enoxy)-1,3-benzodioxole

5-(3-methyl-5-pentan-3-yloxypent-2-enoxy)-1,3-benzodioxole (PubChem CID 154193308) has the molecular formula C18H26O4 and a molecular weight of 306.40 g/mol. Its IUPAC name is 5-(3-methyl-5-pentan-3-yloxypent-2-enoxy)-1,3-benzodioxole.

Molecular Properties

Compound Name5-(3-methyl-5-pentan-3-yloxypent-2-enoxy)-1,3-benzodioxole
PubChem CID154193308
Molecular FormulaC18H26O4
Molecular Weight306.40 g/mol
Exact Mass306.18
IUPAC Name5-(3-methyl-5-pentan-3-yloxypent-2-enoxy)-1,3-benzodioxole
SMILESCCC(CC)OCCC(C)=CCOc1ccc2c(c1)OCO2
InChIInChI=1S/C18H26O4/c1-4-15(5-2)19-10-8-14(3)9-11-20-16-6-7-17-18(12-16)22-13-21-17/h6-7,9,12,15H,4-5,8,10-11,13H2,1-3H3
InChIKeyNHPSVSMERRBVJX-UHFFFAOYSA-N
XLogP4.34
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.40
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(3-methyl-5-pentan-3-yloxypent-2-enoxy)-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

5-[5-(2,2-dimethylcyclopropyl)-3-methylpent-2-enoxy]-1,3-benzodioxole
CID 70122710
(2R)-1-(1,3-benzodioxol-5-yloxy)butan-2-ol
CID 164702589
6-(7-ethyl-3-methylnon-2-enoxy)-2,3-dihydro-1-benzofuran
CID 54350423
3-(1,3-benzodioxol-5-yloxy)pentanoic acid
CID 114990501
2-[2-(1,3-benzodioxol-5-yl)ethoxy]butan-1-ol
CID 14796695
5-(2-methylpropoxy)-1,3-benzodioxole
CID 59144833
(E)-4-(1,3-benzodioxol-5-yloxy)but-2-enoic acid
CID 62343893
1-(1,3-benzodioxol-5-yloxy)pentan-2-ol
CID 62041506
(2S)-1-(1,3-benzodioxol-5-yloxy)-3-methylbutan-2-amine
CID 82080454
3-(1,3-benzodioxol-5-yloxy)pentanenitrile
CID 43368057
1-(1,3-benzodioxol-5-yloxy)propan-2-amine
CID 21474843
5-but-3-enoxy-1,3-benzodioxole
CID 10511936

Frequently Asked Questions

What is the IUPAC name of 5-(3-methyl-5-pentan-3-yloxypent-2-enoxy)-1,3-benzodioxole?
The IUPAC name of 5-(3-methyl-5-pentan-3-yloxypent-2-enoxy)-1,3-benzodioxole (CID 154193308) is 5-(3-methyl-5-pentan-3-yloxypent-2-enoxy)-1,3-benzodioxole.
What is the SMILES notation for 5-(3-methyl-5-pentan-3-yloxypent-2-enoxy)-1,3-benzodioxole?
The canonical SMILES for 5-(3-methyl-5-pentan-3-yloxypent-2-enoxy)-1,3-benzodioxole is CCC(CC)OCCC(C)=CCOc1ccc2c(c1)OCO2.
What is the InChIKey of 5-(3-methyl-5-pentan-3-yloxypent-2-enoxy)-1,3-benzodioxole?
The InChIKey is NHPSVSMERRBVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O4/c1-4-15(5-2)19-10-8-14(3)9-11-20-16-6-7-17-18(12-16)22-13-21-17/h6-7,9,12,15H,4-5,8,10-11,13H2,1-3H3.
What are the key properties of 5-(3-methyl-5-pentan-3-yloxypent-2-enoxy)-1,3-benzodioxole?
5-(3-methyl-5-pentan-3-yloxypent-2-enoxy)-1,3-benzodioxole has a molecular weight of 306.40 g/mol, XLogP of 4.34, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methyl-5-pentan-3-yloxypent-2-enoxy)-1,3-benzodioxole is sourced from PubChem (CID 154193308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).