(2E)-1-methoxy-3,7-dimethylocta-2,6-diene

C11H20O — CID 5365849

IUPAC(2E)-1-methoxy-3,7-dimethylocta-2,6-diene
SMILESCOC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C11H20O/c1-10(2)6-5-7-11(3)8-9-12-4/h6,8H,5,7,9H2,1-4H3/b11-8+
InChIKeyAVJMJMPVWWWELJ-DHZHZOJOSA-N
MW168.28 g/mol
LogP3.33
Rot. Bonds5

About (2E)-1-methoxy-3,7-dimethylocta-2,6-diene

(2E)-1-methoxy-3,7-dimethylocta-2,6-diene (PubChem CID 5365849) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is (2E)-1-methoxy-3,7-dimethylocta-2,6-diene.

Molecular Properties

Compound Name(2E)-1-methoxy-3,7-dimethylocta-2,6-diene
PubChem CID5365849
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name(2E)-1-methoxy-3,7-dimethylocta-2,6-diene
SMILESCOC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C11H20O/c1-10(2)6-5-7-11(3)8-9-12-4/h6,8H,5,7,9H2,1-4H3/b11-8+
InChIKeyAVJMJMPVWWWELJ-DHZHZOJOSA-N
XLogP3.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
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

Neryl formate
CID 5354882
Geranyl formate
CID 5282109
(+-)-Nerol oxide
CID 61275
Citral dimethyl acetal
CID 24191
(2E)-1-Ethoxy-3,7-dimethyl-2,6-octadiene
CID 5365847
Digeranyl ether
CID 6441535
1,1-Dimethoxy-3,7-dimethyl-2,6-octadiene
CID 5352436
Geranial dimethyl acetal
CID 5352435
2,6-Octadiene, 1-ethoxy-3,7-dimethyl-, (2Z)-
CID 6436546
3,7-Dimethylocta-2,6-dienyl formate
CID 7779
2,6-Octadiene, 1-methoxy-3,7-dimethyl-, (2Z)-
CID 6436330
Farnesyl methyl ether
CID 5365855

Frequently Asked Questions

What is the IUPAC name of (2E)-1-methoxy-3,7-dimethylocta-2,6-diene?
The IUPAC name of (2E)-1-methoxy-3,7-dimethylocta-2,6-diene (CID 5365849) is (2E)-1-methoxy-3,7-dimethylocta-2,6-diene.
What is the SMILES notation for (2E)-1-methoxy-3,7-dimethylocta-2,6-diene?
The canonical SMILES for (2E)-1-methoxy-3,7-dimethylocta-2,6-diene is COC/C=C(\C)CCC=C(C)C.
What is the InChIKey of (2E)-1-methoxy-3,7-dimethylocta-2,6-diene?
The InChIKey is AVJMJMPVWWWELJ-DHZHZOJOSA-N. The full InChI is InChI=1S/C11H20O/c1-10(2)6-5-7-11(3)8-9-12-4/h6,8H,5,7,9H2,1-4H3/b11-8+.
What are the key properties of (2E)-1-methoxy-3,7-dimethylocta-2,6-diene?
(2E)-1-methoxy-3,7-dimethylocta-2,6-diene has a molecular weight of 168.28 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-1-methoxy-3,7-dimethylocta-2,6-diene is sourced from PubChem (CID 5365849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).