2-(5-ethoxy-4,4-dimethylpentyl)-1-methoxy-4-methylbenzene

C17H28O2 — CID 143806809

IUPAC2-(5-ethoxy-4,4-dimethylpentyl)-1-methoxy-4-methylbenzene
SMILESCCOCC(C)(C)CCCc1cc(C)ccc1OC
InChIInChI=1S/C17H28O2/c1-6-19-13-17(3,4)11-7-8-15-12-14(2)9-10-16(15)18-5/h9-10,12H,6-8,11,13H2,1-5H3
InChIKeyPEKPZXPRPIAIMY-UHFFFAOYSA-N
MW264.41 g/mol
LogP4.39
Rot. Bonds8

About 2-(5-ethoxy-4,4-dimethylpentyl)-1-methoxy-4-methylbenzene

2-(5-ethoxy-4,4-dimethylpentyl)-1-methoxy-4-methylbenzene (PubChem CID 143806809) has the molecular formula C17H28O2 and a molecular weight of 264.41 g/mol. Its IUPAC name is 2-(5-ethoxy-4,4-dimethylpentyl)-1-methoxy-4-methylbenzene.

Molecular Properties

Compound Name2-(5-ethoxy-4,4-dimethylpentyl)-1-methoxy-4-methylbenzene
PubChem CID143806809
Molecular FormulaC17H28O2
Molecular Weight264.41 g/mol
Exact Mass264.21
IUPAC Name2-(5-ethoxy-4,4-dimethylpentyl)-1-methoxy-4-methylbenzene
SMILESCCOCC(C)(C)CCCc1cc(C)ccc1OC
InChIInChI=1S/C17H28O2/c1-6-19-13-17(3,4)11-7-8-15-12-14(2)9-10-16(15)18-5/h9-10,12H,6-8,11,13H2,1-5H3
InChIKeyPEKPZXPRPIAIMY-UHFFFAOYSA-N
XLogP4.39
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2-methoxy-5-methylphenyl)pentan-2-amine
CID 64505046
N-ethyl-5-(2-methoxy-5-methylphenyl)pentan-2-amine
CID 64504941
5-chloro-N-[(2-methoxy-5-methylphenyl)methyl]-2,2-dimethylpentan-1-amine
CID 114148941
4-(2-methoxy-5-methylphenyl)-2,2-dimethylbutanoic acid
CID 65298753
4-(2-methoxy-5-methylphenyl)-2,2-dimethyl-N-propan-2-ylbutan-1-amine
CID 65306595
1-methoxy-3-(2-methoxy-5-methylphenyl)-2-methylpropan-2-ol
CID 62534879
1-(2-methoxy-5-methylphenyl)-2-methylheptan-2-ol
CID 80557783
N'-[2-(2-methoxy-5-methylphenyl)ethyl]-2,2-dimethylpropane-1,3-diamine
CID 115200149
2-(4-bromo-5-methylhexyl)-1-methoxy-4-methylbenzene
CID 64509437
2-but-3-ynyl-1-methoxy-4-methylbenzene
CID 82363112
1-butyl-2-[2-(2-methoxy-5-methylphenyl)ethyl]-3-methylbenzene;propane
CID 142160854
ethane;1-methoxy-4-methyl-2-(6-propan-2-yloxyhexyl)benzene
CID 143806705

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethoxy-4,4-dimethylpentyl)-1-methoxy-4-methylbenzene?
The IUPAC name of 2-(5-ethoxy-4,4-dimethylpentyl)-1-methoxy-4-methylbenzene (CID 143806809) is 2-(5-ethoxy-4,4-dimethylpentyl)-1-methoxy-4-methylbenzene.
What is the SMILES notation for 2-(5-ethoxy-4,4-dimethylpentyl)-1-methoxy-4-methylbenzene?
The canonical SMILES for 2-(5-ethoxy-4,4-dimethylpentyl)-1-methoxy-4-methylbenzene is CCOCC(C)(C)CCCc1cc(C)ccc1OC.
What is the InChIKey of 2-(5-ethoxy-4,4-dimethylpentyl)-1-methoxy-4-methylbenzene?
The InChIKey is PEKPZXPRPIAIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O2/c1-6-19-13-17(3,4)11-7-8-15-12-14(2)9-10-16(15)18-5/h9-10,12H,6-8,11,13H2,1-5H3.
What are the key properties of 2-(5-ethoxy-4,4-dimethylpentyl)-1-methoxy-4-methylbenzene?
2-(5-ethoxy-4,4-dimethylpentyl)-1-methoxy-4-methylbenzene has a molecular weight of 264.41 g/mol, XLogP of 4.39, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethoxy-4,4-dimethylpentyl)-1-methoxy-4-methylbenzene is sourced from PubChem (CID 143806809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).