1-methoxy-2-(methoxymethyl)-3-pentoxy-2-(pentoxymethyl)propane

C17H36O4 — CID 53428031

IUPAC1-methoxy-2-(methoxymethyl)-3-pentoxy-2-(pentoxymethyl)propane
SMILESCCCCCOCC(COC)(COC)COCCCCC
InChIInChI=1S/C17H36O4/c1-5-7-9-11-20-15-17(13-18-3,14-19-4)16-21-12-10-8-6-2/h5-16H2,1-4H3
InChIKeyCYQQXUJFNKCOFH-UHFFFAOYSA-N
MW304.47 g/mol
LogP3.68
Rot. Bonds16

About 1-methoxy-2-(methoxymethyl)-3-pentoxy-2-(pentoxymethyl)propane

1-methoxy-2-(methoxymethyl)-3-pentoxy-2-(pentoxymethyl)propane (PubChem CID 53428031) has the molecular formula C17H36O4 and a molecular weight of 304.47 g/mol. Its IUPAC name is 1-methoxy-2-(methoxymethyl)-3-pentoxy-2-(pentoxymethyl)propane.

Molecular Properties

Compound Name1-methoxy-2-(methoxymethyl)-3-pentoxy-2-(pentoxymethyl)propane
PubChem CID53428031
Molecular FormulaC17H36O4
Molecular Weight304.47 g/mol
Exact Mass304.26
IUPAC Name1-methoxy-2-(methoxymethyl)-3-pentoxy-2-(pentoxymethyl)propane
SMILESCCCCCOCC(COC)(COC)COCCCCC
InChIInChI=1S/C17H36O4/c1-5-7-9-11-20-15-17(13-18-3,14-19-4)16-21-12-10-8-6-2/h5-16H2,1-4H3
InChIKeyCYQQXUJFNKCOFH-UHFFFAOYSA-N
XLogP3.68
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.47
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-methoxy-2-(methoxymethyl)-3-pentoxy-2-(pentoxymethyl)propane?
The IUPAC name of 1-methoxy-2-(methoxymethyl)-3-pentoxy-2-(pentoxymethyl)propane (CID 53428031) is 1-methoxy-2-(methoxymethyl)-3-pentoxy-2-(pentoxymethyl)propane.
What is the SMILES notation for 1-methoxy-2-(methoxymethyl)-3-pentoxy-2-(pentoxymethyl)propane?
The canonical SMILES for 1-methoxy-2-(methoxymethyl)-3-pentoxy-2-(pentoxymethyl)propane is CCCCCOCC(COC)(COC)COCCCCC.
What is the InChIKey of 1-methoxy-2-(methoxymethyl)-3-pentoxy-2-(pentoxymethyl)propane?
The InChIKey is CYQQXUJFNKCOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O4/c1-5-7-9-11-20-15-17(13-18-3,14-19-4)16-21-12-10-8-6-2/h5-16H2,1-4H3.
What are the key properties of 1-methoxy-2-(methoxymethyl)-3-pentoxy-2-(pentoxymethyl)propane?
1-methoxy-2-(methoxymethyl)-3-pentoxy-2-(pentoxymethyl)propane has a molecular weight of 304.47 g/mol, XLogP of 3.68, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-(methoxymethyl)-3-pentoxy-2-(pentoxymethyl)propane is sourced from PubChem (CID 53428031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).