[2-[2,3-di(propan-2-yloxy)propoxy]-2-ethoxyethyl]benzene

C19H32O4 — CID 145053413

IUPAC[2-[2,3-di(propan-2-yloxy)propoxy]-2-ethoxyethyl]benzene
SMILESCCOC(Cc1ccccc1)OCC(COC(C)C)OC(C)C
InChIInChI=1S/C19H32O4/c1-6-20-19(12-17-10-8-7-9-11-17)22-14-18(23-16(4)5)13-21-15(2)3/h7-11,15-16,18-19H,6,12-14H2,1-5H3
InChIKeySKJVCWPYZBJYIB-UHFFFAOYSA-N
MW324.46 g/mol
LogP3.83
Rot. Bonds12

About [2-[2,3-di(propan-2-yloxy)propoxy]-2-ethoxyethyl]benzene

[2-[2,3-di(propan-2-yloxy)propoxy]-2-ethoxyethyl]benzene (PubChem CID 145053413) has the molecular formula C19H32O4 and a molecular weight of 324.46 g/mol. Its IUPAC name is [2-[2,3-di(propan-2-yloxy)propoxy]-2-ethoxyethyl]benzene.

Molecular Properties

Compound Name[2-[2,3-di(propan-2-yloxy)propoxy]-2-ethoxyethyl]benzene
PubChem CID145053413
Molecular FormulaC19H32O4
Molecular Weight324.46 g/mol
Exact Mass324.23
IUPAC Name[2-[2,3-di(propan-2-yloxy)propoxy]-2-ethoxyethyl]benzene
SMILESCCOC(Cc1ccccc1)OCC(COC(C)C)OC(C)C
InChIInChI=1S/C19H32O4/c1-6-20-19(12-17-10-8-7-9-11-17)22-14-18(23-16(4)5)13-21-15(2)3/h7-11,15-16,18-19H,6,12-14H2,1-5H3
InChIKeySKJVCWPYZBJYIB-UHFFFAOYSA-N
XLogP3.83
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.46
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-ethoxy-2-phenoxyethyl)benzene
CID 54511534
3-phenyl-2-propan-2-yloxypropan-1-ol
CID 174505154
(3-methyl-2-propan-2-yloxybutyl)benzene
CID 3839106
(2-bromo-2-ethoxyethyl)benzene
CID 18694508
2,2-di(undecoxy)ethylbenzene
CID 3023162
2-(2,2-diethoxyethylsulfanyl)-3-phenylpropanoic acid
CID 81093047
N-(2,2-diethoxyethyl)-1-phenylbutan-2-amine
CID 79547344
2,2-bis(2,2,2-tribromoethoxy)ethylbenzene
CID 54304423
1,1-diethoxyethane;2-phenylethylbenzene
CID 66689331
2,2-di(propan-2-yloxy)ethoxymethylbenzene
CID 102410390
2,2-diethoxyethylsulfonylmethylbenzene
CID 64641584
1,1-diethoxy-3-methyl-4-phenylbutan-2-ol
CID 101485670

Frequently Asked Questions

What is the IUPAC name of [2-[2,3-di(propan-2-yloxy)propoxy]-2-ethoxyethyl]benzene?
The IUPAC name of [2-[2,3-di(propan-2-yloxy)propoxy]-2-ethoxyethyl]benzene (CID 145053413) is [2-[2,3-di(propan-2-yloxy)propoxy]-2-ethoxyethyl]benzene.
What is the SMILES notation for [2-[2,3-di(propan-2-yloxy)propoxy]-2-ethoxyethyl]benzene?
The canonical SMILES for [2-[2,3-di(propan-2-yloxy)propoxy]-2-ethoxyethyl]benzene is CCOC(Cc1ccccc1)OCC(COC(C)C)OC(C)C.
What is the InChIKey of [2-[2,3-di(propan-2-yloxy)propoxy]-2-ethoxyethyl]benzene?
The InChIKey is SKJVCWPYZBJYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O4/c1-6-20-19(12-17-10-8-7-9-11-17)22-14-18(23-16(4)5)13-21-15(2)3/h7-11,15-16,18-19H,6,12-14H2,1-5H3.
What are the key properties of [2-[2,3-di(propan-2-yloxy)propoxy]-2-ethoxyethyl]benzene?
[2-[2,3-di(propan-2-yloxy)propoxy]-2-ethoxyethyl]benzene has a molecular weight of 324.46 g/mol, XLogP of 3.83, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2,3-di(propan-2-yloxy)propoxy]-2-ethoxyethyl]benzene is sourced from PubChem (CID 145053413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).