1-methoxy-6-[3-(3-methoxypropoxy)-2,2-bis(3-methoxypropoxymethyl)propoxy]hexane

C24H50O8 — CID 156683117

IUPAC1-methoxy-6-[3-(3-methoxypropoxy)-2,2-bis(3-methoxypropoxymethyl)propoxy]hexane
SMILESCOCCCCCCOCC(COCCCOC)(COCCCOC)COCCCOC
InChIInChI=1S/C24H50O8/c1-25-12-7-5-6-8-16-29-20-24(21-30-17-9-13-26-2,22-31-18-10-14-27-3)23-32-19-11-15-28-4/h5-23H2,1-4H3
InChIKeyRMFPLZISYYHKIL-UHFFFAOYSA-N
MW466.66 g/mol
LogP3.36
Rot. Bonds27

About 1-methoxy-6-[3-(3-methoxypropoxy)-2,2-bis(3-methoxypropoxymethyl)propoxy]hexane

1-methoxy-6-[3-(3-methoxypropoxy)-2,2-bis(3-methoxypropoxymethyl)propoxy]hexane (PubChem CID 156683117) has the molecular formula C24H50O8 and a molecular weight of 466.66 g/mol. Its IUPAC name is 1-methoxy-6-[3-(3-methoxypropoxy)-2,2-bis(3-methoxypropoxymethyl)propoxy]hexane.

Molecular Properties

Compound Name1-methoxy-6-[3-(3-methoxypropoxy)-2,2-bis(3-methoxypropoxymethyl)propoxy]hexane
PubChem CID156683117
Molecular FormulaC24H50O8
Molecular Weight466.66 g/mol
Exact Mass466.35
IUPAC Name1-methoxy-6-[3-(3-methoxypropoxy)-2,2-bis(3-methoxypropoxymethyl)propoxy]hexane
SMILESCOCCCCCCOCC(COCCCOC)(COCCCOC)COCCCOC
InChIInChI=1S/C24H50O8/c1-25-12-7-5-6-8-16-29-20-24(21-30-17-9-13-26-2,22-31-18-10-14-27-3)23-32-19-11-15-28-4/h5-23H2,1-4H3
InChIKeyRMFPLZISYYHKIL-UHFFFAOYSA-N
XLogP3.36
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds27
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.66
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

1,3-bis(3-methoxypropoxy)-2,2-bis(3-methoxypropoxymethyl)propane;ethane;sulfane
CID 153349276
1-methoxy-6-(6-methoxyhexoxy)hexane
CID 154493017
1-methoxy-3-[3-(3-methoxypropoxy)propoxy]propane
CID 6432627
1,8-bis(2-methoxyethoxy)octane
CID 143118909
methyl 2-[3-[2-(4-methoxybutoxymethyl)-3-(3-methoxypropoxy)-2-(3-methoxypropoxymethyl)propoxy]propyl]-6-[3-(3-methoxypropoxy)-2,2-bis(3-methoxypropoxymethyl)propoxy]hexanoate
CID 161409757
1-(3-ethoxypropoxy)-4-methoxybutane
CID 59660847
9-[2-(3-methoxypropoxy)ethoxy]nonane-1-thiol
CID 103176254
1-(4-methoxybutoxy)-2-methylpropan-2-amine
CID 104648280
1-(2-methoxyethoxy)-4-[4-(2-methoxyethoxy)butoxy]butane
CID 58114561
2-[[2-[[2-[[2-(dodecoxymethyl)-3-methoxy-2-(methoxymethyl)propoxy]methyl]-3-methoxy-2-(methoxymethyl)propoxy]methyl]-3-methoxy-2-(methoxymethyl)propoxy]methyl]-3-methoxy-2-(methoxymethyl)propan-1-ol
CID 170388026
1-butoxybutane;1-methoxy-3-(3-methoxypropoxy)propane
CID 174886787
1-butoxy-4-methoxybutane
CID 13082830

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-6-[3-(3-methoxypropoxy)-2,2-bis(3-methoxypropoxymethyl)propoxy]hexane?
The IUPAC name of 1-methoxy-6-[3-(3-methoxypropoxy)-2,2-bis(3-methoxypropoxymethyl)propoxy]hexane (CID 156683117) is 1-methoxy-6-[3-(3-methoxypropoxy)-2,2-bis(3-methoxypropoxymethyl)propoxy]hexane.
What is the SMILES notation for 1-methoxy-6-[3-(3-methoxypropoxy)-2,2-bis(3-methoxypropoxymethyl)propoxy]hexane?
The canonical SMILES for 1-methoxy-6-[3-(3-methoxypropoxy)-2,2-bis(3-methoxypropoxymethyl)propoxy]hexane is COCCCCCCOCC(COCCCOC)(COCCCOC)COCCCOC.
What is the InChIKey of 1-methoxy-6-[3-(3-methoxypropoxy)-2,2-bis(3-methoxypropoxymethyl)propoxy]hexane?
The InChIKey is RMFPLZISYYHKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50O8/c1-25-12-7-5-6-8-16-29-20-24(21-30-17-9-13-26-2,22-31-18-10-14-27-3)23-32-19-11-15-28-4/h5-23H2,1-4H3.
What are the key properties of 1-methoxy-6-[3-(3-methoxypropoxy)-2,2-bis(3-methoxypropoxymethyl)propoxy]hexane?
1-methoxy-6-[3-(3-methoxypropoxy)-2,2-bis(3-methoxypropoxymethyl)propoxy]hexane has a molecular weight of 466.66 g/mol, XLogP of 3.36, 27 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-6-[3-(3-methoxypropoxy)-2,2-bis(3-methoxypropoxymethyl)propoxy]hexane is sourced from PubChem (CID 156683117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).