(E)-2,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]oct-2-en-6-yne

C14H24O — CID 15627587

IUPAC(E)-2,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]oct-2-en-6-yne
SMILESCC#CCC/C(C)=C(\C)COC(C)(C)C
InChIInChI=1S/C14H24O/c1-7-8-9-10-12(2)13(3)11-15-14(4,5)6/h9-11H2,1-6H3/b13-12+
InChIKeyQCPXDSXYNWYUMD-OUKQBFOZSA-N
MW208.34 g/mol
LogP3.94
Rot. Bonds4

About (E)-2,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]oct-2-en-6-yne

(E)-2,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]oct-2-en-6-yne (PubChem CID 15627587) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is (E)-2,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]oct-2-en-6-yne.

Molecular Properties

Compound Name(E)-2,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]oct-2-en-6-yne
PubChem CID15627587
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name(E)-2,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]oct-2-en-6-yne
SMILESCC#CCC/C(C)=C(\C)COC(C)(C)C
InChIInChI=1S/C14H24O/c1-7-8-9-10-12(2)13(3)11-15-14(4,5)6/h9-11H2,1-6H3/b13-12+
InChIKeyQCPXDSXYNWYUMD-OUKQBFOZSA-N
XLogP3.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-2,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]oct-2-en-6-yne?
The IUPAC name of (E)-2,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]oct-2-en-6-yne (CID 15627587) is (E)-2,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]oct-2-en-6-yne.
What is the SMILES notation for (E)-2,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]oct-2-en-6-yne?
The canonical SMILES for (E)-2,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]oct-2-en-6-yne is CC#CCC/C(C)=C(\C)COC(C)(C)C.
What is the InChIKey of (E)-2,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]oct-2-en-6-yne?
The InChIKey is QCPXDSXYNWYUMD-OUKQBFOZSA-N. The full InChI is InChI=1S/C14H24O/c1-7-8-9-10-12(2)13(3)11-15-14(4,5)6/h9-11H2,1-6H3/b13-12+.
What are the key properties of (E)-2,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]oct-2-en-6-yne?
(E)-2,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]oct-2-en-6-yne has a molecular weight of 208.34 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]oct-2-en-6-yne is sourced from PubChem (CID 15627587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).