1-[2,3-bis[2-(methoxymethyl)pentoxy]propoxy]-2-(methoxymethyl)pentane

C24H50O6 — CID 22081180

IUPAC1-[2,3-bis[2-(methoxymethyl)pentoxy]propoxy]-2-(methoxymethyl)pentane
SMILESCCCC(COC)COCC(COCC(CCC)COC)OCC(CCC)COC
InChIInChI=1S/C24H50O6/c1-7-10-21(13-25-4)16-28-19-24(30-18-23(12-9-3)15-27-6)20-29-17-22(11-8-2)14-26-5/h21-24H,7-20H2,1-6H3
InChIKeyAGHRSQGFCIXZHX-UHFFFAOYSA-N
MW434.66 g/mol
LogP4.59
Rot. Bonds23

About 1-[2,3-bis[2-(methoxymethyl)pentoxy]propoxy]-2-(methoxymethyl)pentane

1-[2,3-bis[2-(methoxymethyl)pentoxy]propoxy]-2-(methoxymethyl)pentane (PubChem CID 22081180) has the molecular formula C24H50O6 and a molecular weight of 434.66 g/mol. Its IUPAC name is 1-[2,3-bis[2-(methoxymethyl)pentoxy]propoxy]-2-(methoxymethyl)pentane.

Molecular Properties

Compound Name1-[2,3-bis[2-(methoxymethyl)pentoxy]propoxy]-2-(methoxymethyl)pentane
PubChem CID22081180
Molecular FormulaC24H50O6
Molecular Weight434.66 g/mol
Exact Mass434.36
IUPAC Name1-[2,3-bis[2-(methoxymethyl)pentoxy]propoxy]-2-(methoxymethyl)pentane
SMILESCCCC(COC)COCC(COCC(CCC)COC)OCC(CCC)COC
InChIInChI=1S/C24H50O6/c1-7-10-21(13-25-4)16-28-19-24(30-18-23(12-9-3)15-27-6)20-29-17-22(11-8-2)14-26-5/h21-24H,7-20H2,1-6H3
InChIKeyAGHRSQGFCIXZHX-UHFFFAOYSA-N
XLogP4.59
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds23
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.66
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2,3-bis[2-(methoxymethyl)pentoxy]propoxy]-2-(methoxymethyl)pentane?
The IUPAC name of 1-[2,3-bis[2-(methoxymethyl)pentoxy]propoxy]-2-(methoxymethyl)pentane (CID 22081180) is 1-[2,3-bis[2-(methoxymethyl)pentoxy]propoxy]-2-(methoxymethyl)pentane.
What is the SMILES notation for 1-[2,3-bis[2-(methoxymethyl)pentoxy]propoxy]-2-(methoxymethyl)pentane?
The canonical SMILES for 1-[2,3-bis[2-(methoxymethyl)pentoxy]propoxy]-2-(methoxymethyl)pentane is CCCC(COC)COCC(COCC(CCC)COC)OCC(CCC)COC.
What is the InChIKey of 1-[2,3-bis[2-(methoxymethyl)pentoxy]propoxy]-2-(methoxymethyl)pentane?
The InChIKey is AGHRSQGFCIXZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50O6/c1-7-10-21(13-25-4)16-28-19-24(30-18-23(12-9-3)15-27-6)20-29-17-22(11-8-2)14-26-5/h21-24H,7-20H2,1-6H3.
What are the key properties of 1-[2,3-bis[2-(methoxymethyl)pentoxy]propoxy]-2-(methoxymethyl)pentane?
1-[2,3-bis[2-(methoxymethyl)pentoxy]propoxy]-2-(methoxymethyl)pentane has a molecular weight of 434.66 g/mol, XLogP of 4.59, 23 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,3-bis[2-(methoxymethyl)pentoxy]propoxy]-2-(methoxymethyl)pentane is sourced from PubChem (CID 22081180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).