(6E)-8-methoxy-2,6-dimethylocta-1,6-diene

C11H20O — CID 87447778

IUPAC(6E)-8-methoxy-2,6-dimethylocta-1,6-diene
SMILESC=C(C)CCC/C(C)=C/COC
InChIInChI=1S/C11H20O/c1-10(2)6-5-7-11(3)8-9-12-4/h8H,1,5-7,9H2,2-4H3/b11-8+
InChIKeyVERIKYGXOWRXCX-DHZHZOJOSA-N
MW168.28 g/mol
LogP3.33
Rot. Bonds6

About (6E)-8-methoxy-2,6-dimethylocta-1,6-diene

(6E)-8-methoxy-2,6-dimethylocta-1,6-diene (PubChem CID 87447778) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is (6E)-8-methoxy-2,6-dimethylocta-1,6-diene.

Molecular Properties

Compound Name(6E)-8-methoxy-2,6-dimethylocta-1,6-diene
PubChem CID87447778
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name(6E)-8-methoxy-2,6-dimethylocta-1,6-diene
SMILESC=C(C)CCC/C(C)=C/COC
InChIInChI=1S/C11H20O/c1-10(2)6-5-7-11(3)8-9-12-4/h8H,1,5-7,9H2,2-4H3/b11-8+
InChIKeyVERIKYGXOWRXCX-DHZHZOJOSA-N
XLogP3.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,6-dimethyl-8-propoxyocta-1,6-diene
CID 91499323
(Z)-1,5-dimethoxy-3-methylpent-2-ene
CID 146216379
(4E)-5,9-dimethyldeca-4,9-dienal
CID 6437671
(E)-6-methoxy-4-methylhex-4-enal
CID 59967277
(Z)-1-methoxy-3-methylpent-2-ene
CID 102323192
2,8-dimethyldodeca-1,8-diene
CID 91581739
ethane;(Z)-1-methoxy-3-methylpent-2-ene
CID 168979167
acetic acid;3,7-dimethylocta-2,7-dienyl propanoate;(7-methyl-3-methylideneoct-7-enyl) propanoate
CID 159355662
(3E,6E)-8-methoxy-2,6-dimethylocta-1,3,6-triene
CID 20643241
(6E)-2,7-dimethyldeca-1,6-diene
CID 173073155
3,7,11-trimethyldodeca-1,6,11-trien-3-ol
CID 54462600
[(2E)-3,7-dimethylocta-2,7-dienyl] 4-[(E)-2-[3,4-bis(methoxymethoxy)phenyl]ethenyl]benzoate
CID 57430933

Frequently Asked Questions

What is the IUPAC name of (6E)-8-methoxy-2,6-dimethylocta-1,6-diene?
The IUPAC name of (6E)-8-methoxy-2,6-dimethylocta-1,6-diene (CID 87447778) is (6E)-8-methoxy-2,6-dimethylocta-1,6-diene.
What is the SMILES notation for (6E)-8-methoxy-2,6-dimethylocta-1,6-diene?
The canonical SMILES for (6E)-8-methoxy-2,6-dimethylocta-1,6-diene is C=C(C)CCC/C(C)=C/COC.
What is the InChIKey of (6E)-8-methoxy-2,6-dimethylocta-1,6-diene?
The InChIKey is VERIKYGXOWRXCX-DHZHZOJOSA-N. The full InChI is InChI=1S/C11H20O/c1-10(2)6-5-7-11(3)8-9-12-4/h8H,1,5-7,9H2,2-4H3/b11-8+.
What are the key properties of (6E)-8-methoxy-2,6-dimethylocta-1,6-diene?
(6E)-8-methoxy-2,6-dimethylocta-1,6-diene has a molecular weight of 168.28 g/mol, XLogP of 3.33, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-8-methoxy-2,6-dimethylocta-1,6-diene is sourced from PubChem (CID 87447778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).