(E)-2,2,6-trimethyl-7-[(2-methylpropan-2-yl)oxy]hept-3-ene

C14H28O — CID 89109451

IUPAC(E)-2,2,6-trimethyl-7-[(2-methylpropan-2-yl)oxy]hept-3-ene
SMILESCC(C/C=C/C(C)(C)C)COC(C)(C)C
InChIInChI=1S/C14H28O/c1-12(11-15-14(5,6)7)9-8-10-13(2,3)4/h8,10,12H,9,11H2,1-7H3/b10-8+
InChIKeyDEKWWMNGGSTZJX-CSKARUKUSA-N
MW212.38 g/mol
LogP4.43
Rot. Bonds4

About (E)-2,2,6-trimethyl-7-[(2-methylpropan-2-yl)oxy]hept-3-ene

(E)-2,2,6-trimethyl-7-[(2-methylpropan-2-yl)oxy]hept-3-ene (PubChem CID 89109451) has the molecular formula C14H28O and a molecular weight of 212.38 g/mol. Its IUPAC name is (E)-2,2,6-trimethyl-7-[(2-methylpropan-2-yl)oxy]hept-3-ene.

Molecular Properties

Compound Name(E)-2,2,6-trimethyl-7-[(2-methylpropan-2-yl)oxy]hept-3-ene
PubChem CID89109451
Molecular FormulaC14H28O
Molecular Weight212.38 g/mol
Exact Mass212.21
IUPAC Name(E)-2,2,6-trimethyl-7-[(2-methylpropan-2-yl)oxy]hept-3-ene
SMILESCC(C/C=C/C(C)(C)C)COC(C)(C)C
InChIInChI=1S/C14H28O/c1-12(11-15-14(5,6)7)9-8-10-13(2,3)4/h8,10,12H,9,11H2,1-7H3/b10-8+
InChIKeyDEKWWMNGGSTZJX-CSKARUKUSA-N
XLogP4.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-2,2,6-trimethyl-7-[(2-methylpropan-2-yl)oxy]hept-3-ene?
The IUPAC name of (E)-2,2,6-trimethyl-7-[(2-methylpropan-2-yl)oxy]hept-3-ene (CID 89109451) is (E)-2,2,6-trimethyl-7-[(2-methylpropan-2-yl)oxy]hept-3-ene.
What is the SMILES notation for (E)-2,2,6-trimethyl-7-[(2-methylpropan-2-yl)oxy]hept-3-ene?
The canonical SMILES for (E)-2,2,6-trimethyl-7-[(2-methylpropan-2-yl)oxy]hept-3-ene is CC(C/C=C/C(C)(C)C)COC(C)(C)C.
What is the InChIKey of (E)-2,2,6-trimethyl-7-[(2-methylpropan-2-yl)oxy]hept-3-ene?
The InChIKey is DEKWWMNGGSTZJX-CSKARUKUSA-N. The full InChI is InChI=1S/C14H28O/c1-12(11-15-14(5,6)7)9-8-10-13(2,3)4/h8,10,12H,9,11H2,1-7H3/b10-8+.
What are the key properties of (E)-2,2,6-trimethyl-7-[(2-methylpropan-2-yl)oxy]hept-3-ene?
(E)-2,2,6-trimethyl-7-[(2-methylpropan-2-yl)oxy]hept-3-ene has a molecular weight of 212.38 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,2,6-trimethyl-7-[(2-methylpropan-2-yl)oxy]hept-3-ene is sourced from PubChem (CID 89109451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).