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

C29H52O8 — CID 23539973

IUPAC1,3-bis(2-ethenoxy-2-methylpropoxy)-2,2-bis[(2-ethenoxy-2-methylpropoxy)methyl]propane
SMILESC=COC(C)(C)COCC(COCC(C)(C)OC=C)(COCC(C)(C)OC=C)COCC(C)(C)OC=C
InChIInChI=1S/C29H52O8/c1-13-34-25(5,6)17-30-21-29(22-31-18-26(7,8)35-14-2,23-32-19-27(9,10)36-15-3)24-33-20-28(11,12)37-16-4/h13-16H,1-4,17-24H2,5-12H3
InChIKeyVEBIIZSSJNWVDR-UHFFFAOYSA-N
MW528.73 g/mol
LogP5.79
Rot. Bonds24

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

1,3-bis(2-ethenoxy-2-methylpropoxy)-2,2-bis[(2-ethenoxy-2-methylpropoxy)methyl]propane (PubChem CID 23539973) has the molecular formula C29H52O8 and a molecular weight of 528.73 g/mol. Its IUPAC name is 1,3-bis(2-ethenoxy-2-methylpropoxy)-2,2-bis[(2-ethenoxy-2-methylpropoxy)methyl]propane.

Molecular Properties

Compound Name1,3-bis(2-ethenoxy-2-methylpropoxy)-2,2-bis[(2-ethenoxy-2-methylpropoxy)methyl]propane
PubChem CID23539973
Molecular FormulaC29H52O8
Molecular Weight528.73 g/mol
Exact Mass528.37
IUPAC Name1,3-bis(2-ethenoxy-2-methylpropoxy)-2,2-bis[(2-ethenoxy-2-methylpropoxy)methyl]propane
SMILESC=COC(C)(C)COCC(COCC(C)(C)OC=C)(COCC(C)(C)OC=C)COCC(C)(C)OC=C
InChIInChI=1S/C29H52O8/c1-13-34-25(5,6)17-30-21-29(22-31-18-26(7,8)35-14-2,23-32-19-27(9,10)36-15-3)24-33-20-28(11,12)37-16-4/h13-16H,1-4,17-24H2,5-12H3
InChIKeyVEBIIZSSJNWVDR-UHFFFAOYSA-N
XLogP5.79
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds24
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.73
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

1-ethenoxy-3-(2-methoxyethoxy)-2,2-bis(2-methoxyethoxymethyl)propane
CID 159060039
2-ethenoxy-1,2-diethoxypropane
CID 173023093
1,2-bis(ethenoxy)propan-2-ol
CID 150121763
1-chloro-1,1-bis(ethenoxy)ethane
CID 24973192
2-ethenoxypropan-2-amine
CID 154086052
2-[[2,2-bis(ethenoxymethyl)-3-hydroxypropoxy]methyl]-2-(ethenoxymethyl)propane-1,3-diol
CID 166530667
2-ethenoxy-2-propan-2-yloxypropane
CID 91036163
1-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-3-prop-2-enoxy-2,2-bis(prop-2-enoxymethyl)propane
CID 125489573
1,3-bis(methylsulfanyl)-2-[[3-methylsulfanyl-2,2-bis(methylsulfanylmethyl)propoxy]methyl]-2-(methylsulfanylmethyl)propane
CID 121244441
1,3-bis(ethenoxy)-2,2-dimethylpropane
CID 3019753
5-[2-[(3-amino-2,2-dimethylpropoxy)methyl]-3-(4-amino-2,2,4-trimethylpentoxy)-2-[(4-amino-2,2,4-trimethylpentoxy)methyl]propoxy]-2,4,4-trimethylpentan-2-amine
CID 155267878
3-[[2-[[2-(2,2-diethylbutoxymethyl)-2-ethylbutoxy]methyl]-2-ethylbutoxy]methyl]-3-ethylpentane
CID 129159634

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2-ethenoxy-2-methylpropoxy)-2,2-bis[(2-ethenoxy-2-methylpropoxy)methyl]propane?
The IUPAC name of 1,3-bis(2-ethenoxy-2-methylpropoxy)-2,2-bis[(2-ethenoxy-2-methylpropoxy)methyl]propane (CID 23539973) is 1,3-bis(2-ethenoxy-2-methylpropoxy)-2,2-bis[(2-ethenoxy-2-methylpropoxy)methyl]propane.
What is the SMILES notation for 1,3-bis(2-ethenoxy-2-methylpropoxy)-2,2-bis[(2-ethenoxy-2-methylpropoxy)methyl]propane?
The canonical SMILES for 1,3-bis(2-ethenoxy-2-methylpropoxy)-2,2-bis[(2-ethenoxy-2-methylpropoxy)methyl]propane is C=COC(C)(C)COCC(COCC(C)(C)OC=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-bis[(2-ethenoxy-2-methylpropoxy)methyl]propane?
The InChIKey is VEBIIZSSJNWVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H52O8/c1-13-34-25(5,6)17-30-21-29(22-31-18-26(7,8)35-14-2,23-32-19-27(9,10)36-15-3)24-33-20-28(11,12)37-16-4/h13-16H,1-4,17-24H2,5-12H3.
What are the key properties of 1,3-bis(2-ethenoxy-2-methylpropoxy)-2,2-bis[(2-ethenoxy-2-methylpropoxy)methyl]propane?
1,3-bis(2-ethenoxy-2-methylpropoxy)-2,2-bis[(2-ethenoxy-2-methylpropoxy)methyl]propane has a molecular weight of 528.73 g/mol, XLogP of 5.79, 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-ethenoxy-2-methylpropoxy)-2,2-bis[(2-ethenoxy-2-methylpropoxy)methyl]propane is sourced from PubChem (CID 23539973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).