1-(2-methylprop-2-enoxy)hexadecane

C20H40O — CID 14475897

IUPAC1-(2-methylprop-2-enoxy)hexadecane
SMILESC=C(C)COCCCCCCCCCCCCCCCC
InChIInChI=1S/C20H40O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-19-20(2)3/h2,4-19H2,1,3H3
InChIKeySTBQFQQTWVXMCJ-UHFFFAOYSA-N
MW296.54 g/mol
LogP7.06
Rot. Bonds17

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

1-(2-methylprop-2-enoxy)hexadecane (PubChem CID 14475897) has the molecular formula C20H40O and a molecular weight of 296.54 g/mol. Its IUPAC name is 1-(2-methylprop-2-enoxy)hexadecane.

Molecular Properties

Compound Name1-(2-methylprop-2-enoxy)hexadecane
PubChem CID14475897
Molecular FormulaC20H40O
Molecular Weight296.54 g/mol
Exact Mass296.31
IUPAC Name1-(2-methylprop-2-enoxy)hexadecane
SMILESC=C(C)COCCCCCCCCCCCCCCCC
InChIInChI=1S/C20H40O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-19-20(2)3/h2,4-19H2,1,3H3
InChIKeySTBQFQQTWVXMCJ-UHFFFAOYSA-N
XLogP7.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.54
LogP ≤ 57.06
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

1-[(2-Methyl-2-propen-1-yl)oxy]heptane
CID 59869400
Allylhexadecyl ether
CID 13037788
1-[2-(Methoxymethyl)prop-2-enoxy]hexadecane
CID 11359333
Octadecane, 1-(2-propenyloxy)-
CID 10913940
1-(2-Methylprop-2-enoxy)octane
CID 10954221
1-(3-Methylbut-2-enoxy)decane
CID 101441077
Trifluoro-[18-(2-methylprop-2-enoxy)octadecyl]silane
CID 173939551
Trifluoro-[14-(2-methylprop-2-enoxy)tetradecyl]silane
CID 173939560
Fluoro-dimethyl-[13-(2-methylprop-2-enoxy)tridecyl]silane
CID 173939562
Fluoro-dimethyl-[16-(2-methylprop-2-enoxy)hexadecyl]silane
CID 173939623
Fluoro-dimethyl-[10-(2-methylprop-2-enoxy)decyl]silane
CID 173939652
Fluoro-dimethyl-[18-(2-methylprop-2-enoxy)octadecyl]silane
CID 173939675

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylprop-2-enoxy)hexadecane?
The IUPAC name of 1-(2-methylprop-2-enoxy)hexadecane (CID 14475897) is 1-(2-methylprop-2-enoxy)hexadecane.
What is the SMILES notation for 1-(2-methylprop-2-enoxy)hexadecane?
The canonical SMILES for 1-(2-methylprop-2-enoxy)hexadecane is C=C(C)COCCCCCCCCCCCCCCCC.
What is the InChIKey of 1-(2-methylprop-2-enoxy)hexadecane?
The InChIKey is STBQFQQTWVXMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-19-20(2)3/h2,4-19H2,1,3H3.
What are the key properties of 1-(2-methylprop-2-enoxy)hexadecane?
1-(2-methylprop-2-enoxy)hexadecane has a molecular weight of 296.54 g/mol, XLogP of 7.06, 17 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)hexadecane is sourced from PubChem (CID 14475897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).