1,2,3,4,5,6-hexakis(2-methoxyethoxy)hexane

C24H50O12 — CID 22886700

IUPAC1,2,3,4,5,6-hexakis(2-methoxyethoxy)hexane
SMILESCOCCOCC(OCCOC)C(OCCOC)C(OCCOC)C(COCCOC)OCCOC
InChIInChI=1S/C24H50O12/c1-25-7-13-31-19-21(33-15-9-27-3)23(35-17-11-29-5)24(36-18-12-30-6)22(34-16-10-28-4)20-32-14-8-26-2/h21-24H,7-20H2,1-6H3
InChIKeyYBPNUQINUKZLPS-UHFFFAOYSA-N
MW530.65 g/mol
LogP0.44
Rot. Bonds29

About 1,2,3,4,5,6-hexakis(2-methoxyethoxy)hexane

1,2,3,4,5,6-hexakis(2-methoxyethoxy)hexane (PubChem CID 22886700) has the molecular formula C24H50O12 and a molecular weight of 530.65 g/mol. Its IUPAC name is 1,2,3,4,5,6-hexakis(2-methoxyethoxy)hexane.

Molecular Properties

Compound Name1,2,3,4,5,6-hexakis(2-methoxyethoxy)hexane
PubChem CID22886700
Molecular FormulaC24H50O12
Molecular Weight530.65 g/mol
Exact Mass530.33
IUPAC Name1,2,3,4,5,6-hexakis(2-methoxyethoxy)hexane
SMILESCOCCOCC(OCCOC)C(OCCOC)C(OCCOC)C(COCCOC)OCCOC
InChIInChI=1S/C24H50O12/c1-25-7-13-31-19-21(33-15-9-27-3)23(35-17-11-29-5)24(36-18-12-30-6)22(34-16-10-28-4)20-32-14-8-26-2/h21-24H,7-20H2,1-6H3
InChIKeyYBPNUQINUKZLPS-UHFFFAOYSA-N
XLogP0.44
TPSA110.76 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds29
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.65
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6-hexakis(2-methoxyethoxy)hexane?
The IUPAC name of 1,2,3,4,5,6-hexakis(2-methoxyethoxy)hexane (CID 22886700) is 1,2,3,4,5,6-hexakis(2-methoxyethoxy)hexane.
What is the SMILES notation for 1,2,3,4,5,6-hexakis(2-methoxyethoxy)hexane?
The canonical SMILES for 1,2,3,4,5,6-hexakis(2-methoxyethoxy)hexane is COCCOCC(OCCOC)C(OCCOC)C(OCCOC)C(COCCOC)OCCOC.
What is the InChIKey of 1,2,3,4,5,6-hexakis(2-methoxyethoxy)hexane?
The InChIKey is YBPNUQINUKZLPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50O12/c1-25-7-13-31-19-21(33-15-9-27-3)23(35-17-11-29-5)24(36-18-12-30-6)22(34-16-10-28-4)20-32-14-8-26-2/h21-24H,7-20H2,1-6H3.
What are the key properties of 1,2,3,4,5,6-hexakis(2-methoxyethoxy)hexane?
1,2,3,4,5,6-hexakis(2-methoxyethoxy)hexane has a molecular weight of 530.65 g/mol, XLogP of 0.44, 29 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6-hexakis(2-methoxyethoxy)hexane is sourced from PubChem (CID 22886700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).