1-(2-methylprop-2-enoxy)dodecane

C16H32O — CID 156690078

IUPAC1-(2-methylprop-2-enoxy)dodecane
SMILESC=C(C)COCCCCCCCCCCCC
InChIInChI=1S/C16H32O/c1-4-5-6-7-8-9-10-11-12-13-14-17-15-16(2)3/h2,4-15H2,1,3H3
InChIKeyYDUQQXPOEAIVJO-UHFFFAOYSA-N
MW240.43 g/mol
LogP5.50
Rot. Bonds13

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

1-(2-methylprop-2-enoxy)dodecane (PubChem CID 156690078) has the molecular formula C16H32O and a molecular weight of 240.43 g/mol. Its IUPAC name is 1-(2-methylprop-2-enoxy)dodecane.

Molecular Properties

Compound Name1-(2-methylprop-2-enoxy)dodecane
PubChem CID156690078
Molecular FormulaC16H32O
Molecular Weight240.43 g/mol
Exact Mass240.25
IUPAC Name1-(2-methylprop-2-enoxy)dodecane
SMILESC=C(C)COCCCCCCCCCCCC
InChIInChI=1S/C16H32O/c1-4-5-6-7-8-9-10-11-12-13-14-17-15-16(2)3/h2,4-15H2,1,3H3
InChIKeyYDUQQXPOEAIVJO-UHFFFAOYSA-N
XLogP5.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.43
LogP ≤ 55.50
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-(2-methylprop-2-enoxy)ethoxy]butane
CID 87922728
1-[2-(heptoxymethyl)prop-2-enoxy]heptane
CID 138543680
1-(8-methylnon-8-enoxy)dodecane
CID 10520052
8-heptoxy-2-methyloct-1-ene
CID 59205550
1-hexadecoxypropan-2-one
CID 15701879
2-(heptoxymethyl)prop-2-en-1-amine
CID 103074513
trifluoro(3-heptoxyprop-1-en-2-yl)boranuide
CID 106746672
CID 59269543
CID 59269543
1-heptoxydocosane
CID 91692957
1-(6-pentadecoxyhexoxy)pentadecane
CID 139884766
1-dodecoxyhexadecane
CID 22256973
1-decoxydocosane
CID 87077677

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylprop-2-enoxy)dodecane?
The IUPAC name of 1-(2-methylprop-2-enoxy)dodecane (CID 156690078) is 1-(2-methylprop-2-enoxy)dodecane.
What is the SMILES notation for 1-(2-methylprop-2-enoxy)dodecane?
The canonical SMILES for 1-(2-methylprop-2-enoxy)dodecane is C=C(C)COCCCCCCCCCCCC.
What is the InChIKey of 1-(2-methylprop-2-enoxy)dodecane?
The InChIKey is YDUQQXPOEAIVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O/c1-4-5-6-7-8-9-10-11-12-13-14-17-15-16(2)3/h2,4-15H2,1,3H3.
What are the key properties of 1-(2-methylprop-2-enoxy)dodecane?
1-(2-methylprop-2-enoxy)dodecane has a molecular weight of 240.43 g/mol, XLogP of 5.50, 13 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)dodecane is sourced from PubChem (CID 156690078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).