8-methylnon-8-enoxymethylbenzene

C17H26O — CID 10776845

IUPAC8-methylnon-8-enoxymethylbenzene
SMILESC=C(C)CCCCCCCOCc1ccccc1
InChIInChI=1S/C17H26O/c1-16(2)11-7-4-3-5-10-14-18-15-17-12-8-6-9-13-17/h6,8-9,12-13H,1,3-5,7,10-11,14-15H2,2H3
InChIKeyGBBKORKCNOKTFR-UHFFFAOYSA-N
MW246.39 g/mol
LogP5.12
Rot. Bonds10

About 8-methylnon-8-enoxymethylbenzene

8-methylnon-8-enoxymethylbenzene (PubChem CID 10776845) has the molecular formula C17H26O and a molecular weight of 246.39 g/mol. Its IUPAC name is 8-methylnon-8-enoxymethylbenzene.

Molecular Properties

Compound Name8-methylnon-8-enoxymethylbenzene
PubChem CID10776845
Molecular FormulaC17H26O
Molecular Weight246.39 g/mol
Exact Mass246.20
IUPAC Name8-methylnon-8-enoxymethylbenzene
SMILESC=C(C)CCCCCCCOCc1ccccc1
InChIInChI=1S/C17H26O/c1-16(2)11-7-4-3-5-10-14-18-15-17-12-8-6-9-13-17/h6,8-9,12-13H,1,3-5,7,10-11,14-15H2,2H3
InChIKeyGBBKORKCNOKTFR-UHFFFAOYSA-N
XLogP5.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.39
LogP ≤ 55.12
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

7-(2-methylprop-2-enoxy)heptoxymethylbenzene
CID 19780192
5-[2-(5-phenylmethoxypentoxy)ethoxy]pentoxymethylbenzene
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acetic acid;5-phenylmethoxypentan-1-ol
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6-methyl-1-phenylmethoxyhept-6-en-3-ol
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5-(5-phenylmethoxypentoxy)pentan-1-ol
CID 155584786
azane;hexoxymethylbenzene
CID 174805489
formaldehyde;octoxymethylbenzene;tungsten
CID 173433681
(2Z)-2-ethylidene-6-phenylmethoxyhexanoic acid
CID 102373802
[(2E)-2,7-dimethylocta-2,7-dienoxy]methylbenzene
CID 10879359
CID 162408716
CID 162408716
4-[2-[2-(6-phenylmethoxyhexoxy)ethoxy]ethoxy]butan-1-ol
CID 164592846

Frequently Asked Questions

What is the IUPAC name of 8-methylnon-8-enoxymethylbenzene?
The IUPAC name of 8-methylnon-8-enoxymethylbenzene (CID 10776845) is 8-methylnon-8-enoxymethylbenzene.
What is the SMILES notation for 8-methylnon-8-enoxymethylbenzene?
The canonical SMILES for 8-methylnon-8-enoxymethylbenzene is C=C(C)CCCCCCCOCc1ccccc1.
What is the InChIKey of 8-methylnon-8-enoxymethylbenzene?
The InChIKey is GBBKORKCNOKTFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O/c1-16(2)11-7-4-3-5-10-14-18-15-17-12-8-6-9-13-17/h6,8-9,12-13H,1,3-5,7,10-11,14-15H2,2H3.
What are the key properties of 8-methylnon-8-enoxymethylbenzene?
8-methylnon-8-enoxymethylbenzene has a molecular weight of 246.39 g/mol, XLogP of 5.12, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methylnon-8-enoxymethylbenzene is sourced from PubChem (CID 10776845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).