1-[2-[1,3-bis(2-methylpropoxy)propan-2-yloxymethoxy]-3-(2-methylpropoxy)propoxy]-2-methylpropane

C23H48O6 — CID 19753155

IUPAC1-[2-[1,3-bis(2-methylpropoxy)propan-2-yloxymethoxy]-3-(2-methylpropoxy)propoxy]-2-methylpropane
SMILESCC(C)COCC(COCC(C)C)OCOC(COCC(C)C)COCC(C)C
InChIInChI=1S/C23H48O6/c1-18(2)9-24-13-22(14-25-10-19(3)4)28-17-29-23(15-26-11-20(5)6)16-27-12-21(7)8/h18-23H,9-17H2,1-8H3
InChIKeyMTVCQLOYFKTNRE-UHFFFAOYSA-N
MW420.63 g/mol
LogP4.40
Rot. Bonds20

About 1-[2-[1,3-bis(2-methylpropoxy)propan-2-yloxymethoxy]-3-(2-methylpropoxy)propoxy]-2-methylpropane

1-[2-[1,3-bis(2-methylpropoxy)propan-2-yloxymethoxy]-3-(2-methylpropoxy)propoxy]-2-methylpropane (PubChem CID 19753155) has the molecular formula C23H48O6 and a molecular weight of 420.63 g/mol. Its IUPAC name is 1-[2-[1,3-bis(2-methylpropoxy)propan-2-yloxymethoxy]-3-(2-methylpropoxy)propoxy]-2-methylpropane.

Molecular Properties

Compound Name1-[2-[1,3-bis(2-methylpropoxy)propan-2-yloxymethoxy]-3-(2-methylpropoxy)propoxy]-2-methylpropane
PubChem CID19753155
Molecular FormulaC23H48O6
Molecular Weight420.63 g/mol
Exact Mass420.35
IUPAC Name1-[2-[1,3-bis(2-methylpropoxy)propan-2-yloxymethoxy]-3-(2-methylpropoxy)propoxy]-2-methylpropane
SMILESCC(C)COCC(COCC(C)C)OCOC(COCC(C)C)COCC(C)C
InChIInChI=1S/C23H48O6/c1-18(2)9-24-13-22(14-25-10-19(3)4)28-17-29-23(15-26-11-20(5)6)16-27-12-21(7)8/h18-23H,9-17H2,1-8H3
InChIKeyMTVCQLOYFKTNRE-UHFFFAOYSA-N
XLogP4.40
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds20
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.63
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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CID 162007152
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CID 87879635
2-methyl-1-[3-(2-methylpropoxy)propoxy]propane
CID 22020669
2,6-dimethylheptan-4-ol;methane;2-methyl-1-(2-methylpropoxy)propane
CID 158712892
1-fluoro-3-methyl-2-(2-methylpropoxymethyl)butane
CID 146509043
2,2-dimethoxypropane;2-methyl-1-[2-(2-methylpropoxy)ethoxy]propane
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CID 91526471

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1,3-bis(2-methylpropoxy)propan-2-yloxymethoxy]-3-(2-methylpropoxy)propoxy]-2-methylpropane?
The IUPAC name of 1-[2-[1,3-bis(2-methylpropoxy)propan-2-yloxymethoxy]-3-(2-methylpropoxy)propoxy]-2-methylpropane (CID 19753155) is 1-[2-[1,3-bis(2-methylpropoxy)propan-2-yloxymethoxy]-3-(2-methylpropoxy)propoxy]-2-methylpropane.
What is the SMILES notation for 1-[2-[1,3-bis(2-methylpropoxy)propan-2-yloxymethoxy]-3-(2-methylpropoxy)propoxy]-2-methylpropane?
The canonical SMILES for 1-[2-[1,3-bis(2-methylpropoxy)propan-2-yloxymethoxy]-3-(2-methylpropoxy)propoxy]-2-methylpropane is CC(C)COCC(COCC(C)C)OCOC(COCC(C)C)COCC(C)C.
What is the InChIKey of 1-[2-[1,3-bis(2-methylpropoxy)propan-2-yloxymethoxy]-3-(2-methylpropoxy)propoxy]-2-methylpropane?
The InChIKey is MTVCQLOYFKTNRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H48O6/c1-18(2)9-24-13-22(14-25-10-19(3)4)28-17-29-23(15-26-11-20(5)6)16-27-12-21(7)8/h18-23H,9-17H2,1-8H3.
What are the key properties of 1-[2-[1,3-bis(2-methylpropoxy)propan-2-yloxymethoxy]-3-(2-methylpropoxy)propoxy]-2-methylpropane?
1-[2-[1,3-bis(2-methylpropoxy)propan-2-yloxymethoxy]-3-(2-methylpropoxy)propoxy]-2-methylpropane has a molecular weight of 420.63 g/mol, XLogP of 4.40, 20 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1,3-bis(2-methylpropoxy)propan-2-yloxymethoxy]-3-(2-methylpropoxy)propoxy]-2-methylpropane is sourced from PubChem (CID 19753155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).