1-[(E)-2-methylbut-1-enoxy]hexane

C11H22O — CID 22234831

IUPAC1-[(E)-2-methylbut-1-enoxy]hexane
SMILESCCCCCCO/C=C(\C)CC
InChIInChI=1S/C11H22O/c1-4-6-7-8-9-12-10-11(3)5-2/h10H,4-9H2,1-3H3/b11-10+
InChIKeyBVMUUHJZZNXUKM-ZHACJKMWSA-N
MW170.30 g/mol
LogP3.90
Rot. Bonds7

About 1-[(E)-2-methylbut-1-enoxy]hexane

1-[(E)-2-methylbut-1-enoxy]hexane (PubChem CID 22234831) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is 1-[(E)-2-methylbut-1-enoxy]hexane.

Molecular Properties

Compound Name1-[(E)-2-methylbut-1-enoxy]hexane
PubChem CID22234831
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name1-[(E)-2-methylbut-1-enoxy]hexane
SMILESCCCCCCO/C=C(\C)CC
InChIInChI=1S/C11H22O/c1-4-6-7-8-9-12-10-11(3)5-2/h10H,4-9H2,1-3H3/b11-10+
InChIKeyBVMUUHJZZNXUKM-ZHACJKMWSA-N
XLogP3.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-methylbut-1-enoxy]hexane?
The IUPAC name of 1-[(E)-2-methylbut-1-enoxy]hexane (CID 22234831) is 1-[(E)-2-methylbut-1-enoxy]hexane.
What is the SMILES notation for 1-[(E)-2-methylbut-1-enoxy]hexane?
The canonical SMILES for 1-[(E)-2-methylbut-1-enoxy]hexane is CCCCCCO/C=C(\C)CC.
What is the InChIKey of 1-[(E)-2-methylbut-1-enoxy]hexane?
The InChIKey is BVMUUHJZZNXUKM-ZHACJKMWSA-N. The full InChI is InChI=1S/C11H22O/c1-4-6-7-8-9-12-10-11(3)5-2/h10H,4-9H2,1-3H3/b11-10+.
What are the key properties of 1-[(E)-2-methylbut-1-enoxy]hexane?
1-[(E)-2-methylbut-1-enoxy]hexane has a molecular weight of 170.30 g/mol, XLogP of 3.90, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-methylbut-1-enoxy]hexane is sourced from PubChem (CID 22234831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).