(E)-7-methyl-1-(2-methylpropoxy)oct-4-ene

C13H26O — CID 58462565

IUPAC(E)-7-methyl-1-(2-methylpropoxy)oct-4-ene
SMILESCC(C)C/C=C/CCCOCC(C)C
InChIInChI=1S/C13H26O/c1-12(2)9-7-5-6-8-10-14-11-13(3)4/h5,7,12-13H,6,8-11H2,1-4H3/b7-5+
InChIKeyCJZQNEUAPFBNCE-FNORWQNLSA-N
MW198.35 g/mol
LogP4.04
Rot. Bonds8

About (E)-7-methyl-1-(2-methylpropoxy)oct-4-ene

(E)-7-methyl-1-(2-methylpropoxy)oct-4-ene (PubChem CID 58462565) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is (E)-7-methyl-1-(2-methylpropoxy)oct-4-ene.

Molecular Properties

Compound Name(E)-7-methyl-1-(2-methylpropoxy)oct-4-ene
PubChem CID58462565
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Name(E)-7-methyl-1-(2-methylpropoxy)oct-4-ene
SMILESCC(C)C/C=C/CCCOCC(C)C
InChIInChI=1S/C13H26O/c1-12(2)9-7-5-6-8-10-14-11-13(3)4/h5,7,12-13H,6,8-11H2,1-4H3/b7-5+
InChIKeyCJZQNEUAPFBNCE-FNORWQNLSA-N
XLogP4.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 54.04
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

5-(2-Methoxyethyl)cyclopenta-1,3-diene
CID 12159223
4-(Ethoxymethyl)cyclohexene
CID 85982053
(E)-4-(3,3-dimethylbut-1-en-1-yl)tetrahydro-2H-pyran
CID 126642344
(E)-3-fluoro-6-methyl-7-propoxyhept-3-ene
CID 89420015
(E)-1-ethoxy-6,6-difluoro-2,2,7-trimethyloct-4-ene
CID 118527066
(Z)-1-(difluoromethoxy)-3-methyloct-4-ene
CID 155183687
2-Pentene, 5-butoxy-, (E)-
CID 5364979
3-Heptene, 7-ethoxy-
CID 5367613
4-Methyl-6-(2-methylpropyl)-3,4-dihydro-2H-pyran
CID 21789782
6-isobutyl-3,4-dihydro-2H-pyran
CID 9989345
4-(Methoxymethyl)undeca-1,5,6,10-tetraene
CID 12715944
[(E)-6-methyloct-4-enyl] acetate
CID 101837351

Frequently Asked Questions

What is the IUPAC name of (E)-7-methyl-1-(2-methylpropoxy)oct-4-ene?
The IUPAC name of (E)-7-methyl-1-(2-methylpropoxy)oct-4-ene (CID 58462565) is (E)-7-methyl-1-(2-methylpropoxy)oct-4-ene.
What is the SMILES notation for (E)-7-methyl-1-(2-methylpropoxy)oct-4-ene?
The canonical SMILES for (E)-7-methyl-1-(2-methylpropoxy)oct-4-ene is CC(C)C/C=C/CCCOCC(C)C.
What is the InChIKey of (E)-7-methyl-1-(2-methylpropoxy)oct-4-ene?
The InChIKey is CJZQNEUAPFBNCE-FNORWQNLSA-N. The full InChI is InChI=1S/C13H26O/c1-12(2)9-7-5-6-8-10-14-11-13(3)4/h5,7,12-13H,6,8-11H2,1-4H3/b7-5+.
What are the key properties of (E)-7-methyl-1-(2-methylpropoxy)oct-4-ene?
(E)-7-methyl-1-(2-methylpropoxy)oct-4-ene has a molecular weight of 198.35 g/mol, XLogP of 4.04, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-7-methyl-1-(2-methylpropoxy)oct-4-ene is sourced from PubChem (CID 58462565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).