1,3-bis(2-butoxyethoxy)-2,2-dimethylpropane

C17H36O4 — CID 545723

IUPAC1,3-bis(2-butoxyethoxy)-2,2-dimethylpropane
SMILESCCCCOCCOCC(C)(C)COCCOCCCC
InChIInChI=1S/C17H36O4/c1-5-7-9-18-11-13-20-15-17(3,4)16-21-14-12-19-10-8-6-2/h5-16H2,1-4H3
InChIKeyAZCNBSCJYIQQMG-UHFFFAOYSA-N
MW304.47 g/mol
LogP3.68
Rot. Bonds16

About 1,3-bis(2-butoxyethoxy)-2,2-dimethylpropane

1,3-bis(2-butoxyethoxy)-2,2-dimethylpropane (PubChem CID 545723) has the molecular formula C17H36O4 and a molecular weight of 304.47 g/mol. Its IUPAC name is 1,3-bis(2-butoxyethoxy)-2,2-dimethylpropane.

Molecular Properties

Compound Name1,3-bis(2-butoxyethoxy)-2,2-dimethylpropane
PubChem CID545723
Molecular FormulaC17H36O4
Molecular Weight304.47 g/mol
Exact Mass304.26
IUPAC Name1,3-bis(2-butoxyethoxy)-2,2-dimethylpropane
SMILESCCCCOCCOCC(C)(C)COCCOCCCC
InChIInChI=1S/C17H36O4/c1-5-7-9-18-11-13-20-15-17(3,4)16-21-14-12-19-10-8-6-2/h5-16H2,1-4H3
InChIKeyAZCNBSCJYIQQMG-UHFFFAOYSA-N
XLogP3.68
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.47
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-butoxyethoxy)-2,2-dimethylpropane?
The IUPAC name of 1,3-bis(2-butoxyethoxy)-2,2-dimethylpropane (CID 545723) is 1,3-bis(2-butoxyethoxy)-2,2-dimethylpropane.
What is the SMILES notation for 1,3-bis(2-butoxyethoxy)-2,2-dimethylpropane?
The canonical SMILES for 1,3-bis(2-butoxyethoxy)-2,2-dimethylpropane is CCCCOCCOCC(C)(C)COCCOCCCC.
What is the InChIKey of 1,3-bis(2-butoxyethoxy)-2,2-dimethylpropane?
The InChIKey is AZCNBSCJYIQQMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O4/c1-5-7-9-18-11-13-20-15-17(3,4)16-21-14-12-19-10-8-6-2/h5-16H2,1-4H3.
What are the key properties of 1,3-bis(2-butoxyethoxy)-2,2-dimethylpropane?
1,3-bis(2-butoxyethoxy)-2,2-dimethylpropane has a molecular weight of 304.47 g/mol, XLogP of 3.68, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2-butoxyethoxy)-2,2-dimethylpropane is sourced from PubChem (CID 545723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).