3,3-dimethyl-4-(3-methylbut-2-enoxy)but-1-ene

C11H20O — CID 11715235

IUPAC3,3-dimethyl-4-(3-methylbut-2-enoxy)but-1-ene
SMILESC=CC(C)(C)COCC=C(C)C
InChIInChI=1S/C11H20O/c1-6-11(4,5)9-12-8-7-10(2)3/h6-7H,1,8-9H2,2-5H3
InChIKeyZSTZXNIKPNDATL-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.18
Rot. Bonds5

About 3,3-dimethyl-4-(3-methylbut-2-enoxy)but-1-ene

3,3-dimethyl-4-(3-methylbut-2-enoxy)but-1-ene (PubChem CID 11715235) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 3,3-dimethyl-4-(3-methylbut-2-enoxy)but-1-ene.

Molecular Properties

Compound Name3,3-dimethyl-4-(3-methylbut-2-enoxy)but-1-ene
PubChem CID11715235
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name3,3-dimethyl-4-(3-methylbut-2-enoxy)but-1-ene
SMILESC=CC(C)(C)COCC=C(C)C
InChIInChI=1S/C11H20O/c1-6-11(4,5)9-12-8-7-10(2)3/h6-7H,1,8-9H2,2-5H3
InChIKeyZSTZXNIKPNDATL-UHFFFAOYSA-N
XLogP3.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-(3-methylbut-2-enoxy)but-1-ene?
The IUPAC name of 3,3-dimethyl-4-(3-methylbut-2-enoxy)but-1-ene (CID 11715235) is 3,3-dimethyl-4-(3-methylbut-2-enoxy)but-1-ene.
What is the SMILES notation for 3,3-dimethyl-4-(3-methylbut-2-enoxy)but-1-ene?
The canonical SMILES for 3,3-dimethyl-4-(3-methylbut-2-enoxy)but-1-ene is C=CC(C)(C)COCC=C(C)C.
What is the InChIKey of 3,3-dimethyl-4-(3-methylbut-2-enoxy)but-1-ene?
The InChIKey is ZSTZXNIKPNDATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-6-11(4,5)9-12-8-7-10(2)3/h6-7H,1,8-9H2,2-5H3.
What are the key properties of 3,3-dimethyl-4-(3-methylbut-2-enoxy)but-1-ene?
3,3-dimethyl-4-(3-methylbut-2-enoxy)but-1-ene has a molecular weight of 168.28 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-(3-methylbut-2-enoxy)but-1-ene is sourced from PubChem (CID 11715235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).