(E)-6-(methoxymethyl)-6-methyloct-3-ene

C11H21O+ — CID 91534802

IUPAC(E)-6-(methoxymethyl)-6-methyloct-3-ene
SMILESC[CH+]C(C)(C/C=C/CC)COC
InChIInChI=1S/C11H21O/c1-5-7-8-9-11(3,6-2)10-12-4/h6-8H,5,9-10H2,1-4H3/q+1/b8-7+
InChIKeyYDGSWXLJDYMEJD-BQYQJAHWSA-N
MW169.29 g/mol
LogP3.22
Rot. Bonds6

About (E)-6-(methoxymethyl)-6-methyloct-3-ene

(E)-6-(methoxymethyl)-6-methyloct-3-ene (PubChem CID 91534802) has the molecular formula C11H21O+ and a molecular weight of 169.29 g/mol. Its IUPAC name is (E)-6-(methoxymethyl)-6-methyloct-3-ene.

Molecular Properties

Compound Name(E)-6-(methoxymethyl)-6-methyloct-3-ene
PubChem CID91534802
Molecular FormulaC11H21O+
Molecular Weight169.29 g/mol
Exact Mass169.16
IUPAC Name(E)-6-(methoxymethyl)-6-methyloct-3-ene
SMILESC[CH+]C(C)(C/C=C/CC)COC
InChIInChI=1S/C11H21O/c1-5-7-8-9-11(3,6-2)10-12-4/h6-8H,5,9-10H2,1-4H3/q+1/b8-7+
InChIKeyYDGSWXLJDYMEJD-BQYQJAHWSA-N
XLogP3.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.29
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4,4-Bis(methoxymethyl)-1,6-heptadiene
CID 11074076
(E)-4-(3,3-dimethylbut-1-en-1-yl)tetrahydro-2H-pyran
CID 126642344
1-[(E)-4,4-difluoropent-2-enyl]-1-(methoxymethyl)cyclopropane
CID 69923872
1-(4,4-Difluoropent-2-enyl)-1-(methoxymethyl)cyclopropane
CID 77744139
(E)-2,2-difluoro-7-methoxy-6,6-dimethylhept-3-ene
CID 88054562
2,2-Difluoro-7-methoxy-6,6-dimethylhept-3-ene
CID 123645908
1-[(E)-4,4-difluoropent-2-enyl]-1-(methoxymethyl)cyclopropane;ethane
CID 144175506
(E)-2,2-difluoro-7-methoxy-6,6-dimethylhept-3-ene;ethane
CID 144175591
4,4,9,9-Tetrakis(methoxymethyl)-1,6,11-dodecatriene
CID 129851483
4,4,9,9-Tetrakis(ethoxymethyl)-1,6,11-dodecatriene
CID 129851492
(E)-5-methoxy-6,6-dimethylhept-2-ene
CID 134995972
(6E)-8-methoxy-4,4-dimethylocta-1,6-diene
CID 135014810

Frequently Asked Questions

What is the IUPAC name of (E)-6-(methoxymethyl)-6-methyloct-3-ene?
The IUPAC name of (E)-6-(methoxymethyl)-6-methyloct-3-ene (CID 91534802) is (E)-6-(methoxymethyl)-6-methyloct-3-ene.
What is the SMILES notation for (E)-6-(methoxymethyl)-6-methyloct-3-ene?
The canonical SMILES for (E)-6-(methoxymethyl)-6-methyloct-3-ene is C[CH+]C(C)(C/C=C/CC)COC.
What is the InChIKey of (E)-6-(methoxymethyl)-6-methyloct-3-ene?
The InChIKey is YDGSWXLJDYMEJD-BQYQJAHWSA-N. The full InChI is InChI=1S/C11H21O/c1-5-7-8-9-11(3,6-2)10-12-4/h6-8H,5,9-10H2,1-4H3/q+1/b8-7+.
What are the key properties of (E)-6-(methoxymethyl)-6-methyloct-3-ene?
(E)-6-(methoxymethyl)-6-methyloct-3-ene has a molecular weight of 169.29 g/mol, XLogP of 3.22, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-(methoxymethyl)-6-methyloct-3-ene is sourced from PubChem (CID 91534802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).