3-(2-methylprop-2-enoxy)undecane

C15H30O — CID 173295392

IUPAC3-(2-methylprop-2-enoxy)undecane
SMILESC=C(C)COC(CC)CCCCCCCC
InChIInChI=1S/C15H30O/c1-5-7-8-9-10-11-12-15(6-2)16-13-14(3)4/h15H,3,5-13H2,1-2,4H3
InChIKeyKFLXVRCXJJHTDH-UHFFFAOYSA-N
MW226.40 g/mol
LogP5.11
Rot. Bonds11

About 3-(2-methylprop-2-enoxy)undecane

3-(2-methylprop-2-enoxy)undecane (PubChem CID 173295392) has the molecular formula C15H30O and a molecular weight of 226.40 g/mol. Its IUPAC name is 3-(2-methylprop-2-enoxy)undecane.

Molecular Properties

Compound Name3-(2-methylprop-2-enoxy)undecane
PubChem CID173295392
Molecular FormulaC15H30O
Molecular Weight226.40 g/mol
Exact Mass226.23
IUPAC Name3-(2-methylprop-2-enoxy)undecane
SMILESC=C(C)COC(CC)CCCCCCCC
InChIInChI=1S/C15H30O/c1-5-7-8-9-10-11-12-15(6-2)16-13-14(3)4/h15H,3,5-13H2,1-2,4H3
InChIKeyKFLXVRCXJJHTDH-UHFFFAOYSA-N
XLogP5.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500226.40
LogP ≤ 55.11
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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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylprop-2-enoxy)undecane?
The IUPAC name of 3-(2-methylprop-2-enoxy)undecane (CID 173295392) is 3-(2-methylprop-2-enoxy)undecane.
What is the SMILES notation for 3-(2-methylprop-2-enoxy)undecane?
The canonical SMILES for 3-(2-methylprop-2-enoxy)undecane is C=C(C)COC(CC)CCCCCCCC.
What is the InChIKey of 3-(2-methylprop-2-enoxy)undecane?
The InChIKey is KFLXVRCXJJHTDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O/c1-5-7-8-9-10-11-12-15(6-2)16-13-14(3)4/h15H,3,5-13H2,1-2,4H3.
What are the key properties of 3-(2-methylprop-2-enoxy)undecane?
3-(2-methylprop-2-enoxy)undecane has a molecular weight of 226.40 g/mol, XLogP of 5.11, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylprop-2-enoxy)undecane is sourced from PubChem (CID 173295392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).