1-(3-methylbut-2-en-2-yloxy)octane

C13H26O — CID 20647696

IUPAC1-(3-methylbut-2-en-2-yloxy)octane
SMILESCCCCCCCCOC(C)=C(C)C
InChIInChI=1S/C13H26O/c1-5-6-7-8-9-10-11-14-13(4)12(2)3/h5-11H2,1-4H3
InChIKeyFYURYBKIKUKLHV-UHFFFAOYSA-N
MW198.35 g/mol
LogP4.68
Rot. Bonds8

About 1-(3-methylbut-2-en-2-yloxy)octane

1-(3-methylbut-2-en-2-yloxy)octane (PubChem CID 20647696) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is 1-(3-methylbut-2-en-2-yloxy)octane.

Molecular Properties

Compound Name1-(3-methylbut-2-en-2-yloxy)octane
PubChem CID20647696
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Name1-(3-methylbut-2-en-2-yloxy)octane
SMILESCCCCCCCCOC(C)=C(C)C
InChIInChI=1S/C13H26O/c1-5-6-7-8-9-10-11-14-13(4)12(2)3/h5-11H2,1-4H3
InChIKeyFYURYBKIKUKLHV-UHFFFAOYSA-N
XLogP4.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 54.68
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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Related Compounds

1-(2-Methylprop-1-enoxy)octane
CID 10679068
1-(2-Methylprop-1-enoxy)nonane
CID 22234813
1-(2-Methylprop-1-enoxy)decane
CID 22234820
1-(3-Methylbut-2-en-2-yloxy)pentane
CID 58862763
1-Ethoxy-2-ethylcyclohexene
CID 67854626
1-Methyl-2-octoxycyclohexene
CID 70525122
4-(3-Methylbut-2-en-2-yloxy)heptane
CID 123198538
1-But-2-en-2-yloxydecane
CID 139974507
1-But-2-en-2-yloxyundecane
CID 139974512
1-But-2-en-2-yloxyoctane
CID 139974518
1-But-2-en-2-yloxynonane
CID 139974521
1-(3-Methylbut-2-en-2-yloxy)nonane
CID 151365859

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbut-2-en-2-yloxy)octane?
The IUPAC name of 1-(3-methylbut-2-en-2-yloxy)octane (CID 20647696) is 1-(3-methylbut-2-en-2-yloxy)octane.
What is the SMILES notation for 1-(3-methylbut-2-en-2-yloxy)octane?
The canonical SMILES for 1-(3-methylbut-2-en-2-yloxy)octane is CCCCCCCCOC(C)=C(C)C.
What is the InChIKey of 1-(3-methylbut-2-en-2-yloxy)octane?
The InChIKey is FYURYBKIKUKLHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O/c1-5-6-7-8-9-10-11-14-13(4)12(2)3/h5-11H2,1-4H3.
What are the key properties of 1-(3-methylbut-2-en-2-yloxy)octane?
1-(3-methylbut-2-en-2-yloxy)octane has a molecular weight of 198.35 g/mol, XLogP of 4.68, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbut-2-en-2-yloxy)octane is sourced from PubChem (CID 20647696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).