5-[2,2-di(propan-2-yloxy)ethoxy]pentoxybenzene

C19H32O4 — CID 23282412

IUPAC5-[2,2-di(propan-2-yloxy)ethoxy]pentoxybenzene
SMILESCC(C)OC(COCCCCCOc1ccccc1)OC(C)C
InChIInChI=1S/C19H32O4/c1-16(2)22-19(23-17(3)4)15-20-13-9-6-10-14-21-18-11-7-5-8-12-18/h5,7-8,11-12,16-17,19H,6,9-10,13-15H2,1-4H3
InChIKeyUIFBVVAMNOOVGU-UHFFFAOYSA-N
MW324.46 g/mol
LogP4.43
Rot. Bonds13

About 5-[2,2-di(propan-2-yloxy)ethoxy]pentoxybenzene

5-[2,2-di(propan-2-yloxy)ethoxy]pentoxybenzene (PubChem CID 23282412) has the molecular formula C19H32O4 and a molecular weight of 324.46 g/mol. Its IUPAC name is 5-[2,2-di(propan-2-yloxy)ethoxy]pentoxybenzene.

Molecular Properties

Compound Name5-[2,2-di(propan-2-yloxy)ethoxy]pentoxybenzene
PubChem CID23282412
Molecular FormulaC19H32O4
Molecular Weight324.46 g/mol
Exact Mass324.23
IUPAC Name5-[2,2-di(propan-2-yloxy)ethoxy]pentoxybenzene
SMILESCC(C)OC(COCCCCCOc1ccccc1)OC(C)C
InChIInChI=1S/C19H32O4/c1-16(2)22-19(23-17(3)4)15-20-13-9-6-10-14-21-18-11-7-5-8-12-18/h5,7-8,11-12,16-17,19H,6,9-10,13-15H2,1-4H3
InChIKeyUIFBVVAMNOOVGU-UHFFFAOYSA-N
XLogP4.43
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.46
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

4-(4-phenoxybutoxy)butoxybenzene
CID 22399981
10-methyldodecoxybenzene
CID 143389992
2,2-di(propan-2-yloxy)ethoxymethylbenzene
CID 102410390
2-dodecoxyethoxybenzene
CID 67831231
2-[2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxybenzene
CID 22762214
pentoxybenzene;undecane
CID 174778179
(2R)-1-(3-phenoxypropoxy)butan-2-ol
CID 158011713
1-nonoxypropan-2-yloxybenzene
CID 154296421
5-(4-phenoxybutoxy)pentan-1-amine
CID 82352887
1-(7-phenoxyheptoxy)-4-(4-propan-2-yloxyphenyl)sulfonylbenzene
CID 154513847
nonoxymethoxybenzene
CID 151123684
2-pentoxyethoxybenzene
CID 54431229

Frequently Asked Questions

What is the IUPAC name of 5-[2,2-di(propan-2-yloxy)ethoxy]pentoxybenzene?
The IUPAC name of 5-[2,2-di(propan-2-yloxy)ethoxy]pentoxybenzene (CID 23282412) is 5-[2,2-di(propan-2-yloxy)ethoxy]pentoxybenzene.
What is the SMILES notation for 5-[2,2-di(propan-2-yloxy)ethoxy]pentoxybenzene?
The canonical SMILES for 5-[2,2-di(propan-2-yloxy)ethoxy]pentoxybenzene is CC(C)OC(COCCCCCOc1ccccc1)OC(C)C.
What is the InChIKey of 5-[2,2-di(propan-2-yloxy)ethoxy]pentoxybenzene?
The InChIKey is UIFBVVAMNOOVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O4/c1-16(2)22-19(23-17(3)4)15-20-13-9-6-10-14-21-18-11-7-5-8-12-18/h5,7-8,11-12,16-17,19H,6,9-10,13-15H2,1-4H3.
What are the key properties of 5-[2,2-di(propan-2-yloxy)ethoxy]pentoxybenzene?
5-[2,2-di(propan-2-yloxy)ethoxy]pentoxybenzene has a molecular weight of 324.46 g/mol, XLogP of 4.43, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,2-di(propan-2-yloxy)ethoxy]pentoxybenzene is sourced from PubChem (CID 23282412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).