2,4-di(propan-2-yl)-1-[2-(1-propan-2-yloxyethoxy)ethoxy]benzene

C19H32O3 — CID 59782980

IUPAC2,4-di(propan-2-yl)-1-[2-(1-propan-2-yloxyethoxy)ethoxy]benzene
SMILESCC(C)OC(C)OCCOc1ccc(C(C)C)cc1C(C)C
InChIInChI=1S/C19H32O3/c1-13(2)17-8-9-19(18(12-17)14(3)4)21-11-10-20-16(7)22-15(5)6/h8-9,12-16H,10-11H2,1-7H3
InChIKeyGVPWXGOUABJGQS-UHFFFAOYSA-N
MW308.46 g/mol
LogP5.10
Rot. Bonds9

About 2,4-di(propan-2-yl)-1-[2-(1-propan-2-yloxyethoxy)ethoxy]benzene

2,4-di(propan-2-yl)-1-[2-(1-propan-2-yloxyethoxy)ethoxy]benzene (PubChem CID 59782980) has the molecular formula C19H32O3 and a molecular weight of 308.46 g/mol. Its IUPAC name is 2,4-di(propan-2-yl)-1-[2-(1-propan-2-yloxyethoxy)ethoxy]benzene.

Molecular Properties

Compound Name2,4-di(propan-2-yl)-1-[2-(1-propan-2-yloxyethoxy)ethoxy]benzene
PubChem CID59782980
Molecular FormulaC19H32O3
Molecular Weight308.46 g/mol
Exact Mass308.24
IUPAC Name2,4-di(propan-2-yl)-1-[2-(1-propan-2-yloxyethoxy)ethoxy]benzene
SMILESCC(C)OC(C)OCCOc1ccc(C(C)C)cc1C(C)C
InChIInChI=1S/C19H32O3/c1-13(2)17-8-9-19(18(12-17)14(3)4)21-11-10-20-16(7)22-15(5)6/h8-9,12-16H,10-11H2,1-7H3
InChIKeyGVPWXGOUABJGQS-UHFFFAOYSA-N
XLogP5.10
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.46
LogP ≤ 55.10
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

1,3,5-tri(propan-2-yl)-2-[2-(1-propan-2-yloxyethoxy)ethoxy]benzene
CID 59782939
2-[2,4-di(propan-2-yl)phenoxy]ethanol
CID 166451717
3-propan-2-yl-4-(2-propan-2-yloxyethoxy)benzenesulfonyl chloride
CID 61484808
1-[3-chloro-4-(2-propan-2-yloxyethoxy)phenyl]ethanamine
CID 62912402
4-pent-4-yn-2-yl-2-propan-2-yl-1-propoxybenzene
CID 83935094
2-(2-methoxyethoxy)-1-methyl-4-propan-2-ylbenzene
CID 112722468
2-fluoro-4-propan-2-yl-1-propoxybenzene
CID 67978486
2-ethoxy-1-methoxy-4-propan-2-ylbenzene
CID 22087689
2,4-di(propan-2-yl)-1-(trifluoromethoxy)benzene
CID 59987619
2-(2-fluoro-4-propan-2-ylphenoxy)ethoxymethanol
CID 163912251
(1S)-1-[5-chloro-2-(2-propan-2-yloxyethoxy)phenyl]ethanol
CID 63364452
2-[2-(3-propan-2-yl-4-propoxyphenyl)propyl]propane-1,3-diamine
CID 83935077

Frequently Asked Questions

What is the IUPAC name of 2,4-di(propan-2-yl)-1-[2-(1-propan-2-yloxyethoxy)ethoxy]benzene?
The IUPAC name of 2,4-di(propan-2-yl)-1-[2-(1-propan-2-yloxyethoxy)ethoxy]benzene (CID 59782980) is 2,4-di(propan-2-yl)-1-[2-(1-propan-2-yloxyethoxy)ethoxy]benzene.
What is the SMILES notation for 2,4-di(propan-2-yl)-1-[2-(1-propan-2-yloxyethoxy)ethoxy]benzene?
The canonical SMILES for 2,4-di(propan-2-yl)-1-[2-(1-propan-2-yloxyethoxy)ethoxy]benzene is CC(C)OC(C)OCCOc1ccc(C(C)C)cc1C(C)C.
What is the InChIKey of 2,4-di(propan-2-yl)-1-[2-(1-propan-2-yloxyethoxy)ethoxy]benzene?
The InChIKey is GVPWXGOUABJGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O3/c1-13(2)17-8-9-19(18(12-17)14(3)4)21-11-10-20-16(7)22-15(5)6/h8-9,12-16H,10-11H2,1-7H3.
What are the key properties of 2,4-di(propan-2-yl)-1-[2-(1-propan-2-yloxyethoxy)ethoxy]benzene?
2,4-di(propan-2-yl)-1-[2-(1-propan-2-yloxyethoxy)ethoxy]benzene has a molecular weight of 308.46 g/mol, XLogP of 5.10, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-di(propan-2-yl)-1-[2-(1-propan-2-yloxyethoxy)ethoxy]benzene is sourced from PubChem (CID 59782980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).