(E)-1-[(2-methylpropan-2-yl)oxy]undec-1-ene

C15H30O — CID 15883246

IUPAC(E)-1-[(2-methylpropan-2-yl)oxy]undec-1-ene
SMILESCCCCCCCCC/C=C/OC(C)(C)C
InChIInChI=1S/C15H30O/c1-5-6-7-8-9-10-11-12-13-14-16-15(2,3)4/h13-14H,5-12H2,1-4H3/b14-13+
InChIKeyWKELFLGTZUQNJI-BUHFOSPRSA-N
MW226.40 g/mol
LogP5.46
Rot. Bonds9

About (E)-1-[(2-methylpropan-2-yl)oxy]undec-1-ene

(E)-1-[(2-methylpropan-2-yl)oxy]undec-1-ene (PubChem CID 15883246) has the molecular formula C15H30O and a molecular weight of 226.40 g/mol. Its IUPAC name is (E)-1-[(2-methylpropan-2-yl)oxy]undec-1-ene.

Molecular Properties

Compound Name(E)-1-[(2-methylpropan-2-yl)oxy]undec-1-ene
PubChem CID15883246
Molecular FormulaC15H30O
Molecular Weight226.40 g/mol
Exact Mass226.23
IUPAC Name(E)-1-[(2-methylpropan-2-yl)oxy]undec-1-ene
SMILESCCCCCCCCC/C=C/OC(C)(C)C
InChIInChI=1S/C15H30O/c1-5-6-7-8-9-10-11-12-13-14-16-15(2,3)4/h13-14H,5-12H2,1-4H3/b14-13+
InChIKeyWKELFLGTZUQNJI-BUHFOSPRSA-N
XLogP5.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500226.40
LogP ≤ 55.46
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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Frequently Asked Questions

What is the IUPAC name of (E)-1-[(2-methylpropan-2-yl)oxy]undec-1-ene?
The IUPAC name of (E)-1-[(2-methylpropan-2-yl)oxy]undec-1-ene (CID 15883246) is (E)-1-[(2-methylpropan-2-yl)oxy]undec-1-ene.
What is the SMILES notation for (E)-1-[(2-methylpropan-2-yl)oxy]undec-1-ene?
The canonical SMILES for (E)-1-[(2-methylpropan-2-yl)oxy]undec-1-ene is CCCCCCCCC/C=C/OC(C)(C)C.
What is the InChIKey of (E)-1-[(2-methylpropan-2-yl)oxy]undec-1-ene?
The InChIKey is WKELFLGTZUQNJI-BUHFOSPRSA-N. The full InChI is InChI=1S/C15H30O/c1-5-6-7-8-9-10-11-12-13-14-16-15(2,3)4/h13-14H,5-12H2,1-4H3/b14-13+.
What are the key properties of (E)-1-[(2-methylpropan-2-yl)oxy]undec-1-ene?
(E)-1-[(2-methylpropan-2-yl)oxy]undec-1-ene has a molecular weight of 226.40 g/mol, XLogP of 5.46, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[(2-methylpropan-2-yl)oxy]undec-1-ene is sourced from PubChem (CID 15883246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).