2,3-dimethyl-1-(3-methylbut-2-en-2-yloxy)but-2-ene

C11H20O — CID 23379703

IUPAC2,3-dimethyl-1-(3-methylbut-2-en-2-yloxy)but-2-ene
SMILESCC(C)=C(C)COC(C)=C(C)C
InChIInChI=1S/C11H20O/c1-8(2)10(5)7-12-11(6)9(3)4/h7H2,1-6H3
InChIKeyDDTUFFQBAHNRAK-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.67
Rot. Bonds3

About 2,3-dimethyl-1-(3-methylbut-2-en-2-yloxy)but-2-ene

2,3-dimethyl-1-(3-methylbut-2-en-2-yloxy)but-2-ene (PubChem CID 23379703) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 2,3-dimethyl-1-(3-methylbut-2-en-2-yloxy)but-2-ene.

Molecular Properties

Compound Name2,3-dimethyl-1-(3-methylbut-2-en-2-yloxy)but-2-ene
PubChem CID23379703
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name2,3-dimethyl-1-(3-methylbut-2-en-2-yloxy)but-2-ene
SMILESCC(C)=C(C)COC(C)=C(C)C
InChIInChI=1S/C11H20O/c1-8(2)10(5)7-12-11(6)9(3)4/h7H2,1-6H3
InChIKeyDDTUFFQBAHNRAK-UHFFFAOYSA-N
XLogP3.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-(3-methylbut-2-en-2-yloxy)but-2-ene?
The IUPAC name of 2,3-dimethyl-1-(3-methylbut-2-en-2-yloxy)but-2-ene (CID 23379703) is 2,3-dimethyl-1-(3-methylbut-2-en-2-yloxy)but-2-ene.
What is the SMILES notation for 2,3-dimethyl-1-(3-methylbut-2-en-2-yloxy)but-2-ene?
The canonical SMILES for 2,3-dimethyl-1-(3-methylbut-2-en-2-yloxy)but-2-ene is CC(C)=C(C)COC(C)=C(C)C.
What is the InChIKey of 2,3-dimethyl-1-(3-methylbut-2-en-2-yloxy)but-2-ene?
The InChIKey is DDTUFFQBAHNRAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-8(2)10(5)7-12-11(6)9(3)4/h7H2,1-6H3.
What are the key properties of 2,3-dimethyl-1-(3-methylbut-2-en-2-yloxy)but-2-ene?
2,3-dimethyl-1-(3-methylbut-2-en-2-yloxy)but-2-ene has a molecular weight of 168.28 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-(3-methylbut-2-en-2-yloxy)but-2-ene is sourced from PubChem (CID 23379703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).