1-(2,2-dimethylpropoxy)-3-[3-[3-(2,2-dimethylpropoxy)-2,2-dimethylpropoxy]-2,2-dimethylpropoxy]-2,2-dimethylpropane

C25H52O4 — CID 58571431

IUPAC1-(2,2-dimethylpropoxy)-3-[3-[3-(2,2-dimethylpropoxy)-2,2-dimethylpropoxy]-2,2-dimethylpropoxy]-2,2-dimethylpropane
SMILESCC(C)(C)COCC(C)(C)COCC(C)(C)COCC(C)(C)COCC(C)(C)C
InChIInChI=1S/C25H52O4/c1-21(2,3)13-26-15-23(7,8)17-28-19-25(11,12)20-29-18-24(9,10)16-27-14-22(4,5)6/h13-20H2,1-12H3
InChIKeyGHESUIXFDRIXCD-UHFFFAOYSA-N
MW416.69 g/mol
LogP6.22
Rot. Bonds14

About 1-(2,2-dimethylpropoxy)-3-[3-[3-(2,2-dimethylpropoxy)-2,2-dimethylpropoxy]-2,2-dimethylpropoxy]-2,2-dimethylpropane

1-(2,2-dimethylpropoxy)-3-[3-[3-(2,2-dimethylpropoxy)-2,2-dimethylpropoxy]-2,2-dimethylpropoxy]-2,2-dimethylpropane (PubChem CID 58571431) has the molecular formula C25H52O4 and a molecular weight of 416.69 g/mol. Its IUPAC name is 1-(2,2-dimethylpropoxy)-3-[3-[3-(2,2-dimethylpropoxy)-2,2-dimethylpropoxy]-2,2-dimethylpropoxy]-2,2-dimethylpropane.

Molecular Properties

Compound Name1-(2,2-dimethylpropoxy)-3-[3-[3-(2,2-dimethylpropoxy)-2,2-dimethylpropoxy]-2,2-dimethylpropoxy]-2,2-dimethylpropane
PubChem CID58571431
Molecular FormulaC25H52O4
Molecular Weight416.69 g/mol
Exact Mass416.39
IUPAC Name1-(2,2-dimethylpropoxy)-3-[3-[3-(2,2-dimethylpropoxy)-2,2-dimethylpropoxy]-2,2-dimethylpropoxy]-2,2-dimethylpropane
SMILESCC(C)(C)COCC(C)(C)COCC(C)(C)COCC(C)(C)COCC(C)(C)C
InChIInChI=1S/C25H52O4/c1-21(2,3)13-26-15-23(7,8)17-28-19-25(11,12)20-29-18-24(9,10)16-27-14-22(4,5)6/h13-20H2,1-12H3
InChIKeyGHESUIXFDRIXCD-UHFFFAOYSA-N
XLogP6.22
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.69
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(2,2-dimethylpropoxy)-3-[3-[3-(2,2-dimethylpropoxy)-2,2-dimethylpropoxy]-2,2-dimethylpropoxy]-2,2-dimethylpropane with MolForge

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Related Compounds

1,3-Diethoxy-2,2-bis(ethoxymethyl)propane
CID 313905
1,3-Dimethoxy-2,2-bis(methoxymethyl)propane
CID 13829253
2,2-Bis(methoxymethyl)-1,3-dipropoxy-propane
CID 53428775
1,3-Diethoxy-2,2-dimethylpropane
CID 12698290
15,15-Dimethyl-1,4,7,10,13-pentaoxacyclohexadecane
CID 13177151
1,3-Dipropoxy-2,2-bis(propoxymethyl)propane
CID 13829254
1-[3-Butoxy-2,2-bis(butoxymethyl)propoxy]butane
CID 13829255
1,3-Dimethoxy-2-((3-methoxy-2,2-bis(methoxymethyl)-propoxy)methyl)-2-(methoxymethyl)propane
CID 13829258
1-(2,2-Bis(methoxymethyl)butoxy)-2,2-bis(methoxymethyl)butane
CID 89403838
1-[2,2-Bis(methoxymethyl)-3-(pentyloxy)propoxy]pentane
CID 53428031
5,8,12,15-Tetraoxanonadecane, 10,10-dimethyl-
CID 545723
15-(2-Methoxyethoxymethyl)-15-methyl-1,4,7,10,13-pentaoxacyclohexadecane
CID 15762554

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropoxy)-3-[3-[3-(2,2-dimethylpropoxy)-2,2-dimethylpropoxy]-2,2-dimethylpropoxy]-2,2-dimethylpropane?
The IUPAC name of 1-(2,2-dimethylpropoxy)-3-[3-[3-(2,2-dimethylpropoxy)-2,2-dimethylpropoxy]-2,2-dimethylpropoxy]-2,2-dimethylpropane (CID 58571431) is 1-(2,2-dimethylpropoxy)-3-[3-[3-(2,2-dimethylpropoxy)-2,2-dimethylpropoxy]-2,2-dimethylpropoxy]-2,2-dimethylpropane.
What is the SMILES notation for 1-(2,2-dimethylpropoxy)-3-[3-[3-(2,2-dimethylpropoxy)-2,2-dimethylpropoxy]-2,2-dimethylpropoxy]-2,2-dimethylpropane?
The canonical SMILES for 1-(2,2-dimethylpropoxy)-3-[3-[3-(2,2-dimethylpropoxy)-2,2-dimethylpropoxy]-2,2-dimethylpropoxy]-2,2-dimethylpropane is CC(C)(C)COCC(C)(C)COCC(C)(C)COCC(C)(C)COCC(C)(C)C.
What is the InChIKey of 1-(2,2-dimethylpropoxy)-3-[3-[3-(2,2-dimethylpropoxy)-2,2-dimethylpropoxy]-2,2-dimethylpropoxy]-2,2-dimethylpropane?
The InChIKey is GHESUIXFDRIXCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H52O4/c1-21(2,3)13-26-15-23(7,8)17-28-19-25(11,12)20-29-18-24(9,10)16-27-14-22(4,5)6/h13-20H2,1-12H3.
What are the key properties of 1-(2,2-dimethylpropoxy)-3-[3-[3-(2,2-dimethylpropoxy)-2,2-dimethylpropoxy]-2,2-dimethylpropoxy]-2,2-dimethylpropane?
1-(2,2-dimethylpropoxy)-3-[3-[3-(2,2-dimethylpropoxy)-2,2-dimethylpropoxy]-2,2-dimethylpropoxy]-2,2-dimethylpropane has a molecular weight of 416.69 g/mol, XLogP of 6.22, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropoxy)-3-[3-[3-(2,2-dimethylpropoxy)-2,2-dimethylpropoxy]-2,2-dimethylpropoxy]-2,2-dimethylpropane is sourced from PubChem (CID 58571431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).