1-methoxy-5,7-dimethyloct-4-ene

C11H22O — CID 3022778

IUPAC1-methoxy-5,7-dimethyloct-4-ene
SMILESCOCCCC=C(C)CC(C)C
InChIInChI=1S/C11H22O/c1-10(2)9-11(3)7-5-6-8-12-4/h7,10H,5-6,8-9H2,1-4H3
InChIKeyIPZATDUGRKALNA-UHFFFAOYSA-N
MW170.30 g/mol
LogP3.41
Rot. Bonds6

About 1-methoxy-5,7-dimethyloct-4-ene

1-methoxy-5,7-dimethyloct-4-ene (PubChem CID 3022778) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is 1-methoxy-5,7-dimethyloct-4-ene.

Molecular Properties

Compound Name1-methoxy-5,7-dimethyloct-4-ene
PubChem CID3022778
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name1-methoxy-5,7-dimethyloct-4-ene
SMILESCOCCCC=C(C)CC(C)C
InChIInChI=1S/C11H22O/c1-10(2)9-11(3)7-5-6-8-12-4/h7,10H,5-6,8-9H2,1-4H3
InChIKeyIPZATDUGRKALNA-UHFFFAOYSA-N
XLogP3.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.41
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

2,6-Dimethyl-5-hepten-1-ol
CID 240230
Citronellyl ethyl ether, (+-)-
CID 50941
2-Octene, 8-methoxy-2,6-dimethyl-
CID 91936
(5E)-2,6,10-Trimethyl-5,9-undecadien-1-ol
CID 6364638
2,6,10-Trimethylundeca-5,9-dienol
CID 91116
2-Octene, 8-butoxy-2,6-dimethyl-
CID 116735
2,6-Dimethyl-5-heptenol, (2S)-
CID 11829558
(2R)-2,6-Dimethylhept-5-en-1-ol
CID 16127002
Z-Dehydro-apo-farnesol
CID 91748845
2-Methyl-2-(4-methylpent-3-en-1-yl)oxirane
CID 12429539
Citronellyl ethyl ether, (R)-
CID 92168246
(2R)-2-methyl-2-(4-methylpent-3-enyl)oxirane
CID 12429541

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-5,7-dimethyloct-4-ene?
The IUPAC name of 1-methoxy-5,7-dimethyloct-4-ene (CID 3022778) is 1-methoxy-5,7-dimethyloct-4-ene.
What is the SMILES notation for 1-methoxy-5,7-dimethyloct-4-ene?
The canonical SMILES for 1-methoxy-5,7-dimethyloct-4-ene is COCCCC=C(C)CC(C)C.
What is the InChIKey of 1-methoxy-5,7-dimethyloct-4-ene?
The InChIKey is IPZATDUGRKALNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O/c1-10(2)9-11(3)7-5-6-8-12-4/h7,10H,5-6,8-9H2,1-4H3.
What are the key properties of 1-methoxy-5,7-dimethyloct-4-ene?
1-methoxy-5,7-dimethyloct-4-ene has a molecular weight of 170.30 g/mol, XLogP of 3.41, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-5,7-dimethyloct-4-ene is sourced from PubChem (CID 3022778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).