1,3-bis(2-propan-2-yloxyethoxy)-2,2-bis(2-propan-2-yloxyethoxymethyl)propane

C25H52O8 — CID 54403721

IUPAC1,3-bis(2-propan-2-yloxyethoxy)-2,2-bis(2-propan-2-yloxyethoxymethyl)propane
SMILESCC(C)OCCOCC(COCCOC(C)C)(COCCOC(C)C)COCCOC(C)C
InChIInChI=1S/C25H52O8/c1-21(2)30-13-9-26-17-25(18-27-10-14-31-22(3)4,19-28-11-15-32-23(5)6)20-29-12-16-33-24(7)8/h21-24H,9-20H2,1-8H3
InChIKeyVPFAVJXGBIQLJR-UHFFFAOYSA-N
MW480.68 g/mol
LogP3.74
Rot. Bonds24

About 1,3-bis(2-propan-2-yloxyethoxy)-2,2-bis(2-propan-2-yloxyethoxymethyl)propane

1,3-bis(2-propan-2-yloxyethoxy)-2,2-bis(2-propan-2-yloxyethoxymethyl)propane (PubChem CID 54403721) has the molecular formula C25H52O8 and a molecular weight of 480.68 g/mol. Its IUPAC name is 1,3-bis(2-propan-2-yloxyethoxy)-2,2-bis(2-propan-2-yloxyethoxymethyl)propane.

Molecular Properties

Compound Name1,3-bis(2-propan-2-yloxyethoxy)-2,2-bis(2-propan-2-yloxyethoxymethyl)propane
PubChem CID54403721
Molecular FormulaC25H52O8
Molecular Weight480.68 g/mol
Exact Mass480.37
IUPAC Name1,3-bis(2-propan-2-yloxyethoxy)-2,2-bis(2-propan-2-yloxyethoxymethyl)propane
SMILESCC(C)OCCOCC(COCCOC(C)C)(COCCOC(C)C)COCCOC(C)C
InChIInChI=1S/C25H52O8/c1-21(2)30-13-9-26-17-25(18-27-10-14-31-22(3)4,19-28-11-15-32-23(5)6)20-29-12-16-33-24(7)8/h21-24H,9-20H2,1-8H3
InChIKeyVPFAVJXGBIQLJR-UHFFFAOYSA-N
XLogP3.74
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds24
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.68
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2-propan-2-yloxyethoxy)-2,2-bis(2-propan-2-yloxyethoxymethyl)propane?
The IUPAC name of 1,3-bis(2-propan-2-yloxyethoxy)-2,2-bis(2-propan-2-yloxyethoxymethyl)propane (CID 54403721) is 1,3-bis(2-propan-2-yloxyethoxy)-2,2-bis(2-propan-2-yloxyethoxymethyl)propane.
What is the SMILES notation for 1,3-bis(2-propan-2-yloxyethoxy)-2,2-bis(2-propan-2-yloxyethoxymethyl)propane?
The canonical SMILES for 1,3-bis(2-propan-2-yloxyethoxy)-2,2-bis(2-propan-2-yloxyethoxymethyl)propane is CC(C)OCCOCC(COCCOC(C)C)(COCCOC(C)C)COCCOC(C)C.
What is the InChIKey of 1,3-bis(2-propan-2-yloxyethoxy)-2,2-bis(2-propan-2-yloxyethoxymethyl)propane?
The InChIKey is VPFAVJXGBIQLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H52O8/c1-21(2)30-13-9-26-17-25(18-27-10-14-31-22(3)4,19-28-11-15-32-23(5)6)20-29-12-16-33-24(7)8/h21-24H,9-20H2,1-8H3.
What are the key properties of 1,3-bis(2-propan-2-yloxyethoxy)-2,2-bis(2-propan-2-yloxyethoxymethyl)propane?
1,3-bis(2-propan-2-yloxyethoxy)-2,2-bis(2-propan-2-yloxyethoxymethyl)propane has a molecular weight of 480.68 g/mol, XLogP of 3.74, 24 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2-propan-2-yloxyethoxy)-2,2-bis(2-propan-2-yloxyethoxymethyl)propane is sourced from PubChem (CID 54403721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).