1-methoxypropane;1-methoxy-3-(3-trimethoxysilylpropoxy)propan-2-ol

C14H34O7Si — CID 90896720

IUPAC1-methoxypropane;1-methoxy-3-(3-trimethoxysilylpropoxy)propan-2-ol
SMILESCCCOC.COCC(O)COCCC[Si](OC)(OC)OC
InChIInChI=1S/C10H24O6Si.C4H10O/c1-12-8-10(11)9-16-6-5-7-17(13-2,14-3)15-4;1-3-4-5-2/h10-11H,5-9H2,1-4H3;3-4H2,1-2H3
InChIKeyIUNOESDSZDSUHI-UHFFFAOYSA-N
MW342.51 g/mol
LogP1.32
Rot. Bonds13

About 1-methoxypropane;1-methoxy-3-(3-trimethoxysilylpropoxy)propan-2-ol

1-methoxypropane;1-methoxy-3-(3-trimethoxysilylpropoxy)propan-2-ol (PubChem CID 90896720) has the molecular formula C14H34O7Si and a molecular weight of 342.51 g/mol. Its IUPAC name is 1-methoxypropane;1-methoxy-3-(3-trimethoxysilylpropoxy)propan-2-ol.

Molecular Properties

Compound Name1-methoxypropane;1-methoxy-3-(3-trimethoxysilylpropoxy)propan-2-ol
PubChem CID90896720
Molecular FormulaC14H34O7Si
Molecular Weight342.51 g/mol
Exact Mass342.21
IUPAC Name1-methoxypropane;1-methoxy-3-(3-trimethoxysilylpropoxy)propan-2-ol
SMILESCCCOC.COCC(O)COCCC[Si](OC)(OC)OC
InChIInChI=1S/C10H24O6Si.C4H10O/c1-12-8-10(11)9-16-6-5-7-17(13-2,14-3)15-4;1-3-4-5-2/h10-11H,5-9H2,1-4H3;3-4H2,1-2H3
InChIKeyIUNOESDSZDSUHI-UHFFFAOYSA-N
XLogP1.32
TPSA75.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.51
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(2R)-1-butoxy-3-methoxypropan-2-ol
CID 89035731
[2-hydroxy-3-(3-trimethoxysilylpropoxy)propyl] octadecyl hydrogen phosphate
CID 132837995
1-methoxy-3-[3-(2-methoxyethoxy)propoxy]propan-2-ol
CID 107508453
1-[(3-ethyloxetan-3-yl)methoxy]-3-(3-trimethoxysilylpropoxy)propan-2-ol
CID 58830711
1-(3-trimethoxysilylpropoxy)-3-[2-(3-trimethoxysilylpropylamino)ethylamino]propan-2-ol
CID 20741051
1-butoxy-3-(3-trimethoxysilylpropoxy)propan-2-ol;2-methoxyethanol;2-(2-methoxyethoxy)-3-(3-trimethoxysilylpropoxy)propan-1-ol;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 159937574
(2R)-1-[2-(2-butoxyethoxy)ethoxy]-3-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]propan-2-ol
CID 92518845
1-methoxy-5-propoxypentan-2-ol
CID 106455960
3-(2-ethoxypropoxy)propyl-trimethoxysilane
CID 141066009
(2S)-1-methoxy-3-nonadec-6-enoxypropan-2-ol
CID 91608412
1-(2,6-dimethylmorpholin-4-yl)-3-(3-trimethoxysilylpropoxy)propan-2-ol
CID 90015661
4-[2-hydroxy-3-(3-hydroxy-4-methoxybutoxy)propoxy]-1-methoxybutan-2-ol
CID 177262204

Frequently Asked Questions

What is the IUPAC name of 1-methoxypropane;1-methoxy-3-(3-trimethoxysilylpropoxy)propan-2-ol?
The IUPAC name of 1-methoxypropane;1-methoxy-3-(3-trimethoxysilylpropoxy)propan-2-ol (CID 90896720) is 1-methoxypropane;1-methoxy-3-(3-trimethoxysilylpropoxy)propan-2-ol.
What is the SMILES notation for 1-methoxypropane;1-methoxy-3-(3-trimethoxysilylpropoxy)propan-2-ol?
The canonical SMILES for 1-methoxypropane;1-methoxy-3-(3-trimethoxysilylpropoxy)propan-2-ol is CCCOC.COCC(O)COCCC[Si](OC)(OC)OC.
What is the InChIKey of 1-methoxypropane;1-methoxy-3-(3-trimethoxysilylpropoxy)propan-2-ol?
The InChIKey is IUNOESDSZDSUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24O6Si.C4H10O/c1-12-8-10(11)9-16-6-5-7-17(13-2,14-3)15-4;1-3-4-5-2/h10-11H,5-9H2,1-4H3;3-4H2,1-2H3.
What are the key properties of 1-methoxypropane;1-methoxy-3-(3-trimethoxysilylpropoxy)propan-2-ol?
1-methoxypropane;1-methoxy-3-(3-trimethoxysilylpropoxy)propan-2-ol has a molecular weight of 342.51 g/mol, XLogP of 1.32, 13 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxypropane;1-methoxy-3-(3-trimethoxysilylpropoxy)propan-2-ol is sourced from PubChem (CID 90896720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).