1-(3,3-dimethylbut-1-en-2-yloxy)-3,3-dimethyl-2-propan-2-yloxybutane;ethane

C17H36O2 — CID 142574604

IUPAC1-(3,3-dimethylbut-1-en-2-yloxy)-3,3-dimethyl-2-propan-2-yloxybutane;ethane
SMILESC=C(OCC(OC(C)C)C(C)(C)C)C(C)(C)C.CC
InChIInChI=1S/C15H30O2.C2H6/c1-11(2)17-13(15(7,8)9)10-16-12(3)14(4,5)6;1-2/h11,13H,3,10H2,1-2,4-9H3;1-2H3
InChIKeyMZPKMBSVIMTLHU-UHFFFAOYSA-N
MW272.47 g/mol
LogP5.43
Rot. Bonds5

About 1-(3,3-dimethylbut-1-en-2-yloxy)-3,3-dimethyl-2-propan-2-yloxybutane;ethane

1-(3,3-dimethylbut-1-en-2-yloxy)-3,3-dimethyl-2-propan-2-yloxybutane;ethane (PubChem CID 142574604) has the molecular formula C17H36O2 and a molecular weight of 272.47 g/mol. Its IUPAC name is 1-(3,3-dimethylbut-1-en-2-yloxy)-3,3-dimethyl-2-propan-2-yloxybutane;ethane.

Molecular Properties

Compound Name1-(3,3-dimethylbut-1-en-2-yloxy)-3,3-dimethyl-2-propan-2-yloxybutane;ethane
PubChem CID142574604
Molecular FormulaC17H36O2
Molecular Weight272.47 g/mol
Exact Mass272.27
IUPAC Name1-(3,3-dimethylbut-1-en-2-yloxy)-3,3-dimethyl-2-propan-2-yloxybutane;ethane
SMILESC=C(OCC(OC(C)C)C(C)(C)C)C(C)(C)C.CC
InChIInChI=1S/C15H30O2.C2H6/c1-11(2)17-13(15(7,8)9)10-16-12(3)14(4,5)6;1-2/h11,13H,3,10H2,1-2,4-9H3;1-2H3
InChIKeyMZPKMBSVIMTLHU-UHFFFAOYSA-N
XLogP5.43
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.47
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 1-(3,3-dimethylbut-1-en-2-yloxy)-3,3-dimethyl-2-propan-2-yloxybutane;ethane 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 1-(3,3-dimethylbut-1-en-2-yloxy)-3,3-dimethyl-2-propan-2-yloxybutane;ethane?
The IUPAC name of 1-(3,3-dimethylbut-1-en-2-yloxy)-3,3-dimethyl-2-propan-2-yloxybutane;ethane (CID 142574604) is 1-(3,3-dimethylbut-1-en-2-yloxy)-3,3-dimethyl-2-propan-2-yloxybutane;ethane.
What is the SMILES notation for 1-(3,3-dimethylbut-1-en-2-yloxy)-3,3-dimethyl-2-propan-2-yloxybutane;ethane?
The canonical SMILES for 1-(3,3-dimethylbut-1-en-2-yloxy)-3,3-dimethyl-2-propan-2-yloxybutane;ethane is C=C(OCC(OC(C)C)C(C)(C)C)C(C)(C)C.CC.
What is the InChIKey of 1-(3,3-dimethylbut-1-en-2-yloxy)-3,3-dimethyl-2-propan-2-yloxybutane;ethane?
The InChIKey is MZPKMBSVIMTLHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O2.C2H6/c1-11(2)17-13(15(7,8)9)10-16-12(3)14(4,5)6;1-2/h11,13H,3,10H2,1-2,4-9H3;1-2H3.
What are the key properties of 1-(3,3-dimethylbut-1-en-2-yloxy)-3,3-dimethyl-2-propan-2-yloxybutane;ethane?
1-(3,3-dimethylbut-1-en-2-yloxy)-3,3-dimethyl-2-propan-2-yloxybutane;ethane has a molecular weight of 272.47 g/mol, XLogP of 5.43, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylbut-1-en-2-yloxy)-3,3-dimethyl-2-propan-2-yloxybutane;ethane is sourced from PubChem (CID 142574604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).