7-(2-methylprop-2-enoxy)heptoxymethylbenzene

C18H28O2 — CID 19780192

IUPAC7-(2-methylprop-2-enoxy)heptoxymethylbenzene
SMILESC=C(C)COCCCCCCCOCc1ccccc1
InChIInChI=1S/C18H28O2/c1-17(2)15-19-13-9-4-3-5-10-14-20-16-18-11-7-6-8-12-18/h6-8,11-12H,1,3-5,9-10,13-16H2,2H3
InChIKeyUVSGECVANNHFJQ-UHFFFAOYSA-N
MW276.42 g/mol
LogP4.75
Rot. Bonds12

About 7-(2-methylprop-2-enoxy)heptoxymethylbenzene

7-(2-methylprop-2-enoxy)heptoxymethylbenzene (PubChem CID 19780192) has the molecular formula C18H28O2 and a molecular weight of 276.42 g/mol. Its IUPAC name is 7-(2-methylprop-2-enoxy)heptoxymethylbenzene.

Molecular Properties

Compound Name7-(2-methylprop-2-enoxy)heptoxymethylbenzene
PubChem CID19780192
Molecular FormulaC18H28O2
Molecular Weight276.42 g/mol
Exact Mass276.21
IUPAC Name7-(2-methylprop-2-enoxy)heptoxymethylbenzene
SMILESC=C(C)COCCCCCCCOCc1ccccc1
InChIInChI=1S/C18H28O2/c1-17(2)15-19-13-9-4-3-5-10-14-20-16-18-11-7-6-8-12-18/h6-8,11-12H,1,3-5,9-10,13-16H2,2H3
InChIKeyUVSGECVANNHFJQ-UHFFFAOYSA-N
XLogP4.75
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

8-methylnon-8-enoxymethylbenzene
CID 10776845
5-[2-(5-phenylmethoxypentoxy)ethoxy]pentoxymethylbenzene
CID 135358353
5-bromopentoxymethylbenzene;1,5-dibromopentane
CID 161240377
15-bromopentadecoxymethylbenzene
CID 11338468
acetic acid;5-phenylmethoxypentan-1-ol
CID 71441282
5-(5-phenylmethoxypentoxy)pentan-1-ol
CID 155584786
azane;hexoxymethylbenzene
CID 174805489
formaldehyde;octoxymethylbenzene;tungsten
CID 173433681
butoxymethylbenzene;ethane
CID 145341806
4-[2-[2-(6-phenylmethoxyhexoxy)ethoxy]ethoxy]butan-1-ol
CID 164592846
(9-bromo-9,9-dideuteriononoxy)methylbenzene
CID 162744112
2-hexadecoxyethoxymethylbenzene
CID 19965709

Frequently Asked Questions

What is the IUPAC name of 7-(2-methylprop-2-enoxy)heptoxymethylbenzene?
The IUPAC name of 7-(2-methylprop-2-enoxy)heptoxymethylbenzene (CID 19780192) is 7-(2-methylprop-2-enoxy)heptoxymethylbenzene.
What is the SMILES notation for 7-(2-methylprop-2-enoxy)heptoxymethylbenzene?
The canonical SMILES for 7-(2-methylprop-2-enoxy)heptoxymethylbenzene is C=C(C)COCCCCCCCOCc1ccccc1.
What is the InChIKey of 7-(2-methylprop-2-enoxy)heptoxymethylbenzene?
The InChIKey is UVSGECVANNHFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O2/c1-17(2)15-19-13-9-4-3-5-10-14-20-16-18-11-7-6-8-12-18/h6-8,11-12H,1,3-5,9-10,13-16H2,2H3.
What are the key properties of 7-(2-methylprop-2-enoxy)heptoxymethylbenzene?
7-(2-methylprop-2-enoxy)heptoxymethylbenzene has a molecular weight of 276.42 g/mol, XLogP of 4.75, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methylprop-2-enoxy)heptoxymethylbenzene is sourced from PubChem (CID 19780192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).