1-methoxy-3-(trimethoxymethoxy)propan-1-ol;tris(propan-1-ol)

C17H42O9 — CID 173437150

IUPAC1-methoxy-3-(trimethoxymethoxy)propan-1-ol;tris(propan-1-ol)
SMILESCCCO.CCCO.CCCO.COC(O)CCOC(OC)(OC)OC
InChIInChI=1S/C8H18O6.3C3H8O/c1-10-7(9)5-6-14-8(11-2,12-3)13-4;3*1-2-3-4/h7,9H,5-6H2,1-4H3;3*4H,2-3H2,1H3
InChIKeyCCTKRLQCMQNPIL-UHFFFAOYSA-N
MW390.51 g/mol
LogP1.07
Rot. Bonds11

About 1-methoxy-3-(trimethoxymethoxy)propan-1-ol;tris(propan-1-ol)

1-methoxy-3-(trimethoxymethoxy)propan-1-ol;tris(propan-1-ol) (PubChem CID 173437150) has the molecular formula C17H42O9 and a molecular weight of 390.51 g/mol. Its IUPAC name is 1-methoxy-3-(trimethoxymethoxy)propan-1-ol;tris(propan-1-ol).

Molecular Properties

Compound Name1-methoxy-3-(trimethoxymethoxy)propan-1-ol;tris(propan-1-ol)
PubChem CID173437150
Molecular FormulaC17H42O9
Molecular Weight390.51 g/mol
Exact Mass390.28
IUPAC Name1-methoxy-3-(trimethoxymethoxy)propan-1-ol;tris(propan-1-ol)
SMILESCCCO.CCCO.CCCO.COC(O)CCOC(OC)(OC)OC
InChIInChI=1S/C8H18O6.3C3H8O/c1-10-7(9)5-6-14-8(11-2,12-3)13-4;3*1-2-3-4/h7,9H,5-6H2,1-4H3;3*4H,2-3H2,1H3
InChIKeyCCTKRLQCMQNPIL-UHFFFAOYSA-N
XLogP1.07
TPSA127.07 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 51.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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CID 144737274
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CID 19981343
1-methoxytetradecan-1-ol
CID 19981330
methoxymethane;bis(propan-1-ol)
CID 137366988
methoxymethane;tris(propan-1-ol)
CID 174760877
1-methoxypropan-1-ol;hydrate
CID 141025991
1-methoxypropan-1-ol;silane
CID 174772111
azane;2-(2-hydroxyethoxy)-1-methoxyethanol
CID 90384460
6-methoxyhexane-1,1,6-triol
CID 155462430
tetrakis(propan-1-ol);tetrakis(propan-2-ol);titanium
CID 87932046
bis(propane-1,1-diol);bis(propan-1-ol)
CID 159811925

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-(trimethoxymethoxy)propan-1-ol;tris(propan-1-ol)?
The IUPAC name of 1-methoxy-3-(trimethoxymethoxy)propan-1-ol;tris(propan-1-ol) (CID 173437150) is 1-methoxy-3-(trimethoxymethoxy)propan-1-ol;tris(propan-1-ol).
What is the SMILES notation for 1-methoxy-3-(trimethoxymethoxy)propan-1-ol;tris(propan-1-ol)?
The canonical SMILES for 1-methoxy-3-(trimethoxymethoxy)propan-1-ol;tris(propan-1-ol) is CCCO.CCCO.CCCO.COC(O)CCOC(OC)(OC)OC.
What is the InChIKey of 1-methoxy-3-(trimethoxymethoxy)propan-1-ol;tris(propan-1-ol)?
The InChIKey is CCTKRLQCMQNPIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O6.3C3H8O/c1-10-7(9)5-6-14-8(11-2,12-3)13-4;3*1-2-3-4/h7,9H,5-6H2,1-4H3;3*4H,2-3H2,1H3.
What are the key properties of 1-methoxy-3-(trimethoxymethoxy)propan-1-ol;tris(propan-1-ol)?
1-methoxy-3-(trimethoxymethoxy)propan-1-ol;tris(propan-1-ol) has a molecular weight of 390.51 g/mol, XLogP of 1.07, 11 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-(trimethoxymethoxy)propan-1-ol;tris(propan-1-ol) is sourced from PubChem (CID 173437150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).