6-(3-methylbut-3-enoxy)hex-1-ene

C11H20O — CID 163319896

IUPAC6-(3-methylbut-3-enoxy)hex-1-ene
SMILESC=CCCCCOCCC(=C)C
InChIInChI=1S/C11H20O/c1-4-5-6-7-9-12-10-8-11(2)3/h4H,1-2,5-10H2,3H3
InChIKeyGUZJJDKIEOJBHH-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.33
Rot. Bonds8

About 6-(3-methylbut-3-enoxy)hex-1-ene

6-(3-methylbut-3-enoxy)hex-1-ene (PubChem CID 163319896) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 6-(3-methylbut-3-enoxy)hex-1-ene.

Molecular Properties

Compound Name6-(3-methylbut-3-enoxy)hex-1-ene
PubChem CID163319896
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name6-(3-methylbut-3-enoxy)hex-1-ene
SMILESC=CCCCCOCCC(=C)C
InChIInChI=1S/C11H20O/c1-4-5-6-7-9-12-10-8-11(2)3/h4H,1-2,5-10H2,3H3
InChIKeyGUZJJDKIEOJBHH-UHFFFAOYSA-N
XLogP3.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.33
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 6-(3-methylbut-3-enoxy)hex-1-ene?
The IUPAC name of 6-(3-methylbut-3-enoxy)hex-1-ene (CID 163319896) is 6-(3-methylbut-3-enoxy)hex-1-ene.
What is the SMILES notation for 6-(3-methylbut-3-enoxy)hex-1-ene?
The canonical SMILES for 6-(3-methylbut-3-enoxy)hex-1-ene is C=CCCCCOCCC(=C)C.
What is the InChIKey of 6-(3-methylbut-3-enoxy)hex-1-ene?
The InChIKey is GUZJJDKIEOJBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-4-5-6-7-9-12-10-8-11(2)3/h4H,1-2,5-10H2,3H3.
What are the key properties of 6-(3-methylbut-3-enoxy)hex-1-ene?
6-(3-methylbut-3-enoxy)hex-1-ene has a molecular weight of 168.28 g/mol, XLogP of 3.33, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylbut-3-enoxy)hex-1-ene is sourced from PubChem (CID 163319896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).