8-methoxy-3,7-dimethylocta-1,6-diene

C11H20O — CID 54286528

IUPAC8-methoxy-3,7-dimethylocta-1,6-diene
SMILESC=CC(C)CCC=C(C)COC
InChIInChI=1S/C11H20O/c1-5-10(2)7-6-8-11(3)9-12-4/h5,8,10H,1,6-7,9H2,2-4H3
InChIKeyRUMPGPVJQJMZBX-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.18
Rot. Bonds6

About 8-methoxy-3,7-dimethylocta-1,6-diene

8-methoxy-3,7-dimethylocta-1,6-diene (PubChem CID 54286528) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 8-methoxy-3,7-dimethylocta-1,6-diene.

Molecular Properties

Compound Name8-methoxy-3,7-dimethylocta-1,6-diene
PubChem CID54286528
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name8-methoxy-3,7-dimethylocta-1,6-diene
SMILESC=CC(C)CCC=C(C)COC
InChIInChI=1S/C11H20O/c1-5-10(2)7-6-8-11(3)9-12-4/h5,8,10H,1,6-7,9H2,2-4H3
InChIKeyRUMPGPVJQJMZBX-UHFFFAOYSA-N
XLogP3.18
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 ≤ 53.18
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

(2E)-1-Ethoxy-3,7-dimethyl-2,6-octadiene
CID 5365847
O-Methyllinalool, (+-)-
CID 108507
(2E)-1-Methoxy-3,7-dimethyl-2,6-octadiene
CID 5365849
2,6-Octadiene, 1-methoxy-3,7-dimethyl-, (2Z)-
CID 6436330
2,6-Octadiene, 1-ethoxy-3,7-dimethyl-, (2Z)-
CID 6436546
Ethyl linalyl ether
CID 175211
Farnesyl methyl ether
CID 5365855
1,6-Octadiene, 8-methoxy-
CID 5362853
1-Ethoxy-3,7-dimethylocta-2,6-diene
CID 38415
(2E,6E,10E)-1-methoxy-3,7,11,15-tetramethyl-hexadeca-2,6,10,14-tetraene
CID 17915377
Npc133097
CID 5365842
(3S,6S)-3,6-dimethoxy-1-methyl-4-propan-2-ylcyclohexa-1,4-diene
CID 162982358

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-3,7-dimethylocta-1,6-diene?
The IUPAC name of 8-methoxy-3,7-dimethylocta-1,6-diene (CID 54286528) is 8-methoxy-3,7-dimethylocta-1,6-diene.
What is the SMILES notation for 8-methoxy-3,7-dimethylocta-1,6-diene?
The canonical SMILES for 8-methoxy-3,7-dimethylocta-1,6-diene is C=CC(C)CCC=C(C)COC.
What is the InChIKey of 8-methoxy-3,7-dimethylocta-1,6-diene?
The InChIKey is RUMPGPVJQJMZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-5-10(2)7-6-8-11(3)9-12-4/h5,8,10H,1,6-7,9H2,2-4H3.
What are the key properties of 8-methoxy-3,7-dimethylocta-1,6-diene?
8-methoxy-3,7-dimethylocta-1,6-diene has a molecular weight of 168.28 g/mol, XLogP of 3.18, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-3,7-dimethylocta-1,6-diene is sourced from PubChem (CID 54286528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).