1-(2,6-dimethyloct-7-en-2-yloxymethyl)-4-methoxybenzene

C18H28O2 — CID 123339155

IUPAC1-(2,6-dimethyloct-7-en-2-yloxymethyl)-4-methoxybenzene
SMILESC=CC(C)CCCC(C)(C)OCc1ccc(OC)cc1
InChIInChI=1S/C18H28O2/c1-6-15(2)8-7-13-18(3,4)20-14-16-9-11-17(19-5)12-10-16/h6,9-12,15H,1,7-8,13-14H2,2-5H3
InChIKeyGHGQKWWRSLMXPX-UHFFFAOYSA-N
MW276.42 g/mol
LogP4.98
Rot. Bonds9

About 1-(2,6-dimethyloct-7-en-2-yloxymethyl)-4-methoxybenzene

1-(2,6-dimethyloct-7-en-2-yloxymethyl)-4-methoxybenzene (PubChem CID 123339155) has the molecular formula C18H28O2 and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-(2,6-dimethyloct-7-en-2-yloxymethyl)-4-methoxybenzene.

Molecular Properties

Compound Name1-(2,6-dimethyloct-7-en-2-yloxymethyl)-4-methoxybenzene
PubChem CID123339155
Molecular FormulaC18H28O2
Molecular Weight276.42 g/mol
Exact Mass276.21
IUPAC Name1-(2,6-dimethyloct-7-en-2-yloxymethyl)-4-methoxybenzene
SMILESC=CC(C)CCCC(C)(C)OCc1ccc(OC)cc1
InChIInChI=1S/C18H28O2/c1-6-15(2)8-7-13-18(3,4)20-14-16-9-11-17(19-5)12-10-16/h6,9-12,15H,1,7-8,13-14H2,2-5H3
InChIKeyGHGQKWWRSLMXPX-UHFFFAOYSA-N
XLogP4.98
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,6-dimethyloct-7-en-2-yloxymethanethiol
CID 57007334
methyl 2-[(4-methoxyphenyl)methoxy]-2-methylpropanoate
CID 59570909
1-methoxy-4-[(2-methylpropan-2-yl)oxymethyl]benzene
CID 11206354
1-[[(3S)-4,4-dimethylpent-1-en-3-yl]oxymethyl]-4-methoxybenzene
CID 173117366
1-[[(4S)-1,1-dibromo-4-methylocta-1,7-dien-4-yl]oxymethyl]-4-methoxybenzene
CID 16753810
(3R)-6-[(4-methoxyphenyl)methoxy]hex-1-en-3-ol
CID 24864257
(2S)-2-ethenyl-2-[(4-methoxyphenyl)methoxy]undecan-1-ol
CID 11290574
5-(4-methoxyanilino)-7-methylnon-8-en-1-ol
CID 102336379
(2R,3S)-6-[(4-methoxyphenyl)methoxy]-3-methyl-3-prop-2-enoxyhexane-1,2-diol
CID 71606468
(2E,5S)-5-[(4-methoxyphenyl)methoxy]-4,4-dimethylhepta-2,6-dien-1-ol
CID 10869554
1-(2-ethylbut-3-enoxymethyl)-4-methoxybenzene
CID 101467389
(2R,3S)-3-[(4-methoxyphenyl)methoxy]pent-4-ene-1,2-diol
CID 102381132

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethyloct-7-en-2-yloxymethyl)-4-methoxybenzene?
The IUPAC name of 1-(2,6-dimethyloct-7-en-2-yloxymethyl)-4-methoxybenzene (CID 123339155) is 1-(2,6-dimethyloct-7-en-2-yloxymethyl)-4-methoxybenzene.
What is the SMILES notation for 1-(2,6-dimethyloct-7-en-2-yloxymethyl)-4-methoxybenzene?
The canonical SMILES for 1-(2,6-dimethyloct-7-en-2-yloxymethyl)-4-methoxybenzene is C=CC(C)CCCC(C)(C)OCc1ccc(OC)cc1.
What is the InChIKey of 1-(2,6-dimethyloct-7-en-2-yloxymethyl)-4-methoxybenzene?
The InChIKey is GHGQKWWRSLMXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O2/c1-6-15(2)8-7-13-18(3,4)20-14-16-9-11-17(19-5)12-10-16/h6,9-12,15H,1,7-8,13-14H2,2-5H3.
What are the key properties of 1-(2,6-dimethyloct-7-en-2-yloxymethyl)-4-methoxybenzene?
1-(2,6-dimethyloct-7-en-2-yloxymethyl)-4-methoxybenzene has a molecular weight of 276.42 g/mol, XLogP of 4.98, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethyloct-7-en-2-yloxymethyl)-4-methoxybenzene is sourced from PubChem (CID 123339155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).