1,3-bis(2-ethenoxy-2-methylpropoxy)-2-[(2-ethenoxy-2-methylpropoxy)methyl]-2-methylpropane

C23H42O6 — CID 23539974

IUPAC1,3-bis(2-ethenoxy-2-methylpropoxy)-2-[(2-ethenoxy-2-methylpropoxy)methyl]-2-methylpropane
SMILESC=COC(C)(C)COCC(C)(COCC(C)(C)OC=C)COCC(C)(C)OC=C
InChIInChI=1S/C23H42O6/c1-11-27-20(4,5)14-24-17-23(10,18-25-15-21(6,7)28-12-2)19-26-16-22(8,9)29-13-3/h11-13H,1-3,14-19H2,4-10H3
InChIKeyUWBDUXFVKIQSHA-UHFFFAOYSA-N
MW414.58 g/mol
LogP4.86
Rot. Bonds18

About 1,3-bis(2-ethenoxy-2-methylpropoxy)-2-[(2-ethenoxy-2-methylpropoxy)methyl]-2-methylpropane

1,3-bis(2-ethenoxy-2-methylpropoxy)-2-[(2-ethenoxy-2-methylpropoxy)methyl]-2-methylpropane (PubChem CID 23539974) has the molecular formula C23H42O6 and a molecular weight of 414.58 g/mol. Its IUPAC name is 1,3-bis(2-ethenoxy-2-methylpropoxy)-2-[(2-ethenoxy-2-methylpropoxy)methyl]-2-methylpropane.

Molecular Properties

Compound Name1,3-bis(2-ethenoxy-2-methylpropoxy)-2-[(2-ethenoxy-2-methylpropoxy)methyl]-2-methylpropane
PubChem CID23539974
Molecular FormulaC23H42O6
Molecular Weight414.58 g/mol
Exact Mass414.30
IUPAC Name1,3-bis(2-ethenoxy-2-methylpropoxy)-2-[(2-ethenoxy-2-methylpropoxy)methyl]-2-methylpropane
SMILESC=COC(C)(C)COCC(C)(COCC(C)(C)OC=C)COCC(C)(C)OC=C
InChIInChI=1S/C23H42O6/c1-11-27-20(4,5)14-24-17-23(10,18-25-15-21(6,7)28-12-2)19-26-16-22(8,9)29-13-3/h11-13H,1-3,14-19H2,4-10H3
InChIKeyUWBDUXFVKIQSHA-UHFFFAOYSA-N
XLogP4.86
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.58
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2-ethenoxy-2-methylpropoxy)-2-[(2-ethenoxy-2-methylpropoxy)methyl]-2-methylpropane?
The IUPAC name of 1,3-bis(2-ethenoxy-2-methylpropoxy)-2-[(2-ethenoxy-2-methylpropoxy)methyl]-2-methylpropane (CID 23539974) is 1,3-bis(2-ethenoxy-2-methylpropoxy)-2-[(2-ethenoxy-2-methylpropoxy)methyl]-2-methylpropane.
What is the SMILES notation for 1,3-bis(2-ethenoxy-2-methylpropoxy)-2-[(2-ethenoxy-2-methylpropoxy)methyl]-2-methylpropane?
The canonical SMILES for 1,3-bis(2-ethenoxy-2-methylpropoxy)-2-[(2-ethenoxy-2-methylpropoxy)methyl]-2-methylpropane is C=COC(C)(C)COCC(C)(COCC(C)(C)OC=C)COCC(C)(C)OC=C.
What is the InChIKey of 1,3-bis(2-ethenoxy-2-methylpropoxy)-2-[(2-ethenoxy-2-methylpropoxy)methyl]-2-methylpropane?
The InChIKey is UWBDUXFVKIQSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42O6/c1-11-27-20(4,5)14-24-17-23(10,18-25-15-21(6,7)28-12-2)19-26-16-22(8,9)29-13-3/h11-13H,1-3,14-19H2,4-10H3.
What are the key properties of 1,3-bis(2-ethenoxy-2-methylpropoxy)-2-[(2-ethenoxy-2-methylpropoxy)methyl]-2-methylpropane?
1,3-bis(2-ethenoxy-2-methylpropoxy)-2-[(2-ethenoxy-2-methylpropoxy)methyl]-2-methylpropane has a molecular weight of 414.58 g/mol, XLogP of 4.86, 18 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2-ethenoxy-2-methylpropoxy)-2-[(2-ethenoxy-2-methylpropoxy)methyl]-2-methylpropane is sourced from PubChem (CID 23539974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).