1,3,5-tri(propan-2-yl)-2-[2-(1-propan-2-yloxyethoxy)ethoxy]benzene

C22H38O3 — CID 59782939

IUPAC1,3,5-tri(propan-2-yl)-2-[2-(1-propan-2-yloxyethoxy)ethoxy]benzene
SMILESCC(C)OC(C)OCCOc1c(C(C)C)cc(C(C)C)cc1C(C)C
InChIInChI=1S/C22H38O3/c1-14(2)19-12-20(15(3)4)22(21(13-19)16(5)6)24-11-10-23-18(9)25-17(7)8/h12-18H,10-11H2,1-9H3
InChIKeyZBXLFKAMYGYTGO-UHFFFAOYSA-N
MW350.54 g/mol
LogP6.22
Rot. Bonds10

About 1,3,5-tri(propan-2-yl)-2-[2-(1-propan-2-yloxyethoxy)ethoxy]benzene

1,3,5-tri(propan-2-yl)-2-[2-(1-propan-2-yloxyethoxy)ethoxy]benzene (PubChem CID 59782939) has the molecular formula C22H38O3 and a molecular weight of 350.54 g/mol. Its IUPAC name is 1,3,5-tri(propan-2-yl)-2-[2-(1-propan-2-yloxyethoxy)ethoxy]benzene.

Molecular Properties

Compound Name1,3,5-tri(propan-2-yl)-2-[2-(1-propan-2-yloxyethoxy)ethoxy]benzene
PubChem CID59782939
Molecular FormulaC22H38O3
Molecular Weight350.54 g/mol
Exact Mass350.28
IUPAC Name1,3,5-tri(propan-2-yl)-2-[2-(1-propan-2-yloxyethoxy)ethoxy]benzene
SMILESCC(C)OC(C)OCCOc1c(C(C)C)cc(C(C)C)cc1C(C)C
InChIInChI=1S/C22H38O3/c1-14(2)19-12-20(15(3)4)22(21(13-19)16(5)6)24-11-10-23-18(9)25-17(7)8/h12-18H,10-11H2,1-9H3
InChIKeyZBXLFKAMYGYTGO-UHFFFAOYSA-N
XLogP6.22
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.54
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2,4-di(propan-2-yl)-1-[2-(1-propan-2-yloxyethoxy)ethoxy]benzene
CID 59782980
[2,4,6-tri(propan-2-yl)phenyl]phosphane
CID 609106
[2,4,6-tri(propan-2-yl)phenyl]borane
CID 14976181
2-hexoxy-3,5-di(propan-2-yl)benzoic acid
CID 59083270
(E)-3-[2-butoxy-3,5-di(propan-2-yl)phenyl]but-2-enal
CID 177470115
2-[2-(2-methoxyethoxy)ethoxy]-1,3-dimethyl-5-propan-2-ylbenzene
CID 90397544
1-[(2Z,4E,6E)-3,6-dimethylocta-2,4,6-trien-2-yl]-3,5-di(propan-2-yl)-2-propoxybenzene
CID 142051706
2-[4-[1-[4-(2-hydroxyethoxy)-3,5-di(propan-2-yl)phenyl]cycloheptyl]-2,6-di(propan-2-yl)phenoxy]ethanol
CID 21257888
1-[4-[2-(1-propan-2-yloxyethoxy)ethoxy]phenyl]adamantane
CID 59782890
1,3-di(propan-2-yl)-2-propoxybenzene
CID 59277560
1-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)ethanamine
CID 82265941
5-bromo-3-methyl-2-(2-propan-2-yloxyethoxy)aniline
CID 79843008

Frequently Asked Questions

What is the IUPAC name of 1,3,5-tri(propan-2-yl)-2-[2-(1-propan-2-yloxyethoxy)ethoxy]benzene?
The IUPAC name of 1,3,5-tri(propan-2-yl)-2-[2-(1-propan-2-yloxyethoxy)ethoxy]benzene (CID 59782939) is 1,3,5-tri(propan-2-yl)-2-[2-(1-propan-2-yloxyethoxy)ethoxy]benzene.
What is the SMILES notation for 1,3,5-tri(propan-2-yl)-2-[2-(1-propan-2-yloxyethoxy)ethoxy]benzene?
The canonical SMILES for 1,3,5-tri(propan-2-yl)-2-[2-(1-propan-2-yloxyethoxy)ethoxy]benzene is CC(C)OC(C)OCCOc1c(C(C)C)cc(C(C)C)cc1C(C)C.
What is the InChIKey of 1,3,5-tri(propan-2-yl)-2-[2-(1-propan-2-yloxyethoxy)ethoxy]benzene?
The InChIKey is ZBXLFKAMYGYTGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38O3/c1-14(2)19-12-20(15(3)4)22(21(13-19)16(5)6)24-11-10-23-18(9)25-17(7)8/h12-18H,10-11H2,1-9H3.
What are the key properties of 1,3,5-tri(propan-2-yl)-2-[2-(1-propan-2-yloxyethoxy)ethoxy]benzene?
1,3,5-tri(propan-2-yl)-2-[2-(1-propan-2-yloxyethoxy)ethoxy]benzene has a molecular weight of 350.54 g/mol, XLogP of 6.22, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-tri(propan-2-yl)-2-[2-(1-propan-2-yloxyethoxy)ethoxy]benzene is sourced from PubChem (CID 59782939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).