1-(2-methylprop-2-enoxy)octane

C12H24O — CID 10954221

IUPAC1-(2-methylprop-2-enoxy)octane
SMILESC=C(C)COCCCCCCCC
InChIInChI=1S/C12H24O/c1-4-5-6-7-8-9-10-13-11-12(2)3/h2,4-11H2,1,3H3
InChIKeyRMCXOTKWRHLYQM-UHFFFAOYSA-N
MW184.32 g/mol
LogP3.94
Rot. Bonds9

About 1-(2-methylprop-2-enoxy)octane

1-(2-methylprop-2-enoxy)octane (PubChem CID 10954221) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is 1-(2-methylprop-2-enoxy)octane.

Molecular Properties

Compound Name1-(2-methylprop-2-enoxy)octane
PubChem CID10954221
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name1-(2-methylprop-2-enoxy)octane
SMILESC=C(C)COCCCCCCCC
InChIInChI=1S/C12H24O/c1-4-5-6-7-8-9-10-13-11-12(2)3/h2,4-11H2,1,3H3
InChIKeyRMCXOTKWRHLYQM-UHFFFAOYSA-N
XLogP3.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 53.94
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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Related Compounds

Allyl n-octyl ether
CID 520600
1-(2-Propenyloxy)heptane
CID 27904
1-(Allyloxy)decane
CID 76802
1-[(2-Methyl-2-propen-1-yl)oxy]heptane
CID 59869400
1-[2-(Methoxymethyl)prop-2-enoxy]hexadecane
CID 11359333
1-[(2-Methylprop-2-EN-1-YL)oxy]hexadecane
CID 14475897
1-(3-Methylbut-2-enoxy)decane
CID 101441077
Trifluoro-[8-(2-methylprop-2-enoxy)octyl]silane
CID 173939590
Trifluoro-[11-(2-methylprop-2-enoxy)undecyl]silane
CID 173939622
Fluoro-dimethyl-[9-(2-methylprop-2-enoxy)nonyl]silane
CID 173939710
Trifluoro-[10-(2-methylprop-2-enoxy)decyl]silane
CID 173939790
Fluoro-dimethyl-[8-(2-methylprop-2-enoxy)octyl]silane
CID 173939814

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylprop-2-enoxy)octane?
The IUPAC name of 1-(2-methylprop-2-enoxy)octane (CID 10954221) is 1-(2-methylprop-2-enoxy)octane.
What is the SMILES notation for 1-(2-methylprop-2-enoxy)octane?
The canonical SMILES for 1-(2-methylprop-2-enoxy)octane is C=C(C)COCCCCCCCC.
What is the InChIKey of 1-(2-methylprop-2-enoxy)octane?
The InChIKey is RMCXOTKWRHLYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O/c1-4-5-6-7-8-9-10-13-11-12(2)3/h2,4-11H2,1,3H3.
What are the key properties of 1-(2-methylprop-2-enoxy)octane?
1-(2-methylprop-2-enoxy)octane has a molecular weight of 184.32 g/mol, XLogP of 3.94, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylprop-2-enoxy)octane is sourced from PubChem (CID 10954221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).