1-methoxy-3-[3-(3-methoxypropoxy)propoxy]propane

C11H24O4 — CID 6432627

IUPAC1-methoxy-3-[3-(3-methoxypropoxy)propoxy]propane
SMILESCOCCCOCCCOCCCOC
InChIInChI=1S/C11H24O4/c1-12-6-3-8-14-10-5-11-15-9-4-7-13-2/h3-11H2,1-2H3
InChIKeyTTYHFEHZJTWHNB-UHFFFAOYSA-N
MW220.31 g/mol
LogP1.48
Rot. Bonds12

About 1-methoxy-3-[3-(3-methoxypropoxy)propoxy]propane

1-methoxy-3-[3-(3-methoxypropoxy)propoxy]propane (PubChem CID 6432627) has the molecular formula C11H24O4 and a molecular weight of 220.31 g/mol. Its IUPAC name is 1-methoxy-3-[3-(3-methoxypropoxy)propoxy]propane.

Molecular Properties

Compound Name1-methoxy-3-[3-(3-methoxypropoxy)propoxy]propane
PubChem CID6432627
Molecular FormulaC11H24O4
Molecular Weight220.31 g/mol
Exact Mass220.17
IUPAC Name1-methoxy-3-[3-(3-methoxypropoxy)propoxy]propane
SMILESCOCCCOCCCOCCCOC
InChIInChI=1S/C11H24O4/c1-12-6-3-8-14-10-5-11-15-9-4-7-13-2/h3-11H2,1-2H3
InChIKeyTTYHFEHZJTWHNB-UHFFFAOYSA-N
XLogP1.48
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 51.48
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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Related Compounds

1-methoxy-6-(6-methoxyhexoxy)hexane
CID 154493017
1-butoxybutane;1-methoxy-3-(3-methoxypropoxy)propane
CID 174886787
1-(3-ethoxypropoxy)-4-methoxybutane
CID 59660847
2-(3-methoxypropoxy)ethanamine;hydrochloride
CID 86645457
2-[2-(3-methoxypropoxy)ethoxy]ethanamine
CID 103175799
1-(2-methoxyethoxy)-4-[4-(2-methoxyethoxy)butoxy]butane
CID 58114561
1-[2-(2-butoxyethoxy)ethoxy]butane;1-methoxybutane
CID 174801496
1-butoxy-4-methoxybutane
CID 13082830
1-(3-methoxypropoxy)-3-methylbutane
CID 18925853
1-methoxy-6-[3-(3-methoxypropoxy)-2,2-bis(3-methoxypropoxymethyl)propoxy]hexane
CID 156683117
1,3-bis(3-methoxypropoxy)-2,2-bis(3-methoxypropoxymethyl)propane;ethane;sulfane
CID 153349276
1,8-bis(2-methoxyethoxy)octane
CID 143118909

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-[3-(3-methoxypropoxy)propoxy]propane?
The IUPAC name of 1-methoxy-3-[3-(3-methoxypropoxy)propoxy]propane (CID 6432627) is 1-methoxy-3-[3-(3-methoxypropoxy)propoxy]propane.
What is the SMILES notation for 1-methoxy-3-[3-(3-methoxypropoxy)propoxy]propane?
The canonical SMILES for 1-methoxy-3-[3-(3-methoxypropoxy)propoxy]propane is COCCCOCCCOCCCOC.
What is the InChIKey of 1-methoxy-3-[3-(3-methoxypropoxy)propoxy]propane?
The InChIKey is TTYHFEHZJTWHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O4/c1-12-6-3-8-14-10-5-11-15-9-4-7-13-2/h3-11H2,1-2H3.
What are the key properties of 1-methoxy-3-[3-(3-methoxypropoxy)propoxy]propane?
1-methoxy-3-[3-(3-methoxypropoxy)propoxy]propane has a molecular weight of 220.31 g/mol, XLogP of 1.48, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-[3-(3-methoxypropoxy)propoxy]propane is sourced from PubChem (CID 6432627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).