3-butyl-3,5-dimethyl-5-(2-phenylethoxy)dioxolane

C17H26O3 — CID 71455645

IUPAC3-butyl-3,5-dimethyl-5-(2-phenylethoxy)dioxolane
SMILESCCCCC1(C)CC(C)(OCCc2ccccc2)OO1
InChIInChI=1S/C17H26O3/c1-4-5-12-16(2)14-17(3,20-19-16)18-13-11-15-9-7-6-8-10-15/h6-10H,4-5,11-14H2,1-3H3
InChIKeyDLVXBBXGLMUYIT-UHFFFAOYSA-N
MW278.39 g/mol
LogP4.26
Rot. Bonds7

About 3-butyl-3,5-dimethyl-5-(2-phenylethoxy)dioxolane

3-butyl-3,5-dimethyl-5-(2-phenylethoxy)dioxolane (PubChem CID 71455645) has the molecular formula C17H26O3 and a molecular weight of 278.39 g/mol. Its IUPAC name is 3-butyl-3,5-dimethyl-5-(2-phenylethoxy)dioxolane.

Molecular Properties

Compound Name3-butyl-3,5-dimethyl-5-(2-phenylethoxy)dioxolane
PubChem CID71455645
Molecular FormulaC17H26O3
Molecular Weight278.39 g/mol
Exact Mass278.19
IUPAC Name3-butyl-3,5-dimethyl-5-(2-phenylethoxy)dioxolane
SMILESCCCCC1(C)CC(C)(OCCc2ccccc2)OO1
InChIInChI=1S/C17H26O3/c1-4-5-12-16(2)14-17(3,20-19-16)18-13-11-15-9-7-6-8-10-15/h6-10H,4-5,11-14H2,1-3H3
InChIKeyDLVXBBXGLMUYIT-UHFFFAOYSA-N
XLogP4.26
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.39
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-butyl-3,5-dimethyl-5-(2-phenylethoxy)dioxolane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-butyl-3,5-dimethyl-5-(2-phenylethoxy)dioxolane?
The IUPAC name of 3-butyl-3,5-dimethyl-5-(2-phenylethoxy)dioxolane (CID 71455645) is 3-butyl-3,5-dimethyl-5-(2-phenylethoxy)dioxolane.
What is the SMILES notation for 3-butyl-3,5-dimethyl-5-(2-phenylethoxy)dioxolane?
The canonical SMILES for 3-butyl-3,5-dimethyl-5-(2-phenylethoxy)dioxolane is CCCCC1(C)CC(C)(OCCc2ccccc2)OO1.
What is the InChIKey of 3-butyl-3,5-dimethyl-5-(2-phenylethoxy)dioxolane?
The InChIKey is DLVXBBXGLMUYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O3/c1-4-5-12-16(2)14-17(3,20-19-16)18-13-11-15-9-7-6-8-10-15/h6-10H,4-5,11-14H2,1-3H3.
What are the key properties of 3-butyl-3,5-dimethyl-5-(2-phenylethoxy)dioxolane?
3-butyl-3,5-dimethyl-5-(2-phenylethoxy)dioxolane has a molecular weight of 278.39 g/mol, XLogP of 4.26, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-3,5-dimethyl-5-(2-phenylethoxy)dioxolane is sourced from PubChem (CID 71455645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).