1-[(3-ethyloxetan-3-yl)methoxy]-3-(3-trimethoxysilylpropoxy)propan-2-ol

C15H32O7Si — CID 58830711

IUPAC1-[(3-ethyloxetan-3-yl)methoxy]-3-(3-trimethoxysilylpropoxy)propan-2-ol
SMILESCCC1(COCC(O)COCCC[Si](OC)(OC)OC)COC1
InChIInChI=1S/C15H32O7Si/c1-5-15(12-22-13-15)11-21-10-14(16)9-20-7-6-8-23(17-2,18-3)19-4/h14,16H,5-13H2,1-4H3
InChIKeyZPXJANUKRHDHTF-UHFFFAOYSA-N
MW352.50 g/mol
LogP1.08
Rot. Bonds14

About 1-[(3-ethyloxetan-3-yl)methoxy]-3-(3-trimethoxysilylpropoxy)propan-2-ol

1-[(3-ethyloxetan-3-yl)methoxy]-3-(3-trimethoxysilylpropoxy)propan-2-ol (PubChem CID 58830711) has the molecular formula C15H32O7Si and a molecular weight of 352.50 g/mol. Its IUPAC name is 1-[(3-ethyloxetan-3-yl)methoxy]-3-(3-trimethoxysilylpropoxy)propan-2-ol.

Molecular Properties

Compound Name1-[(3-ethyloxetan-3-yl)methoxy]-3-(3-trimethoxysilylpropoxy)propan-2-ol
PubChem CID58830711
Molecular FormulaC15H32O7Si
Molecular Weight352.50 g/mol
Exact Mass352.19
IUPAC Name1-[(3-ethyloxetan-3-yl)methoxy]-3-(3-trimethoxysilylpropoxy)propan-2-ol
SMILESCCC1(COCC(O)COCCC[Si](OC)(OC)OC)COC1
InChIInChI=1S/C15H32O7Si/c1-5-15(12-22-13-15)11-21-10-14(16)9-20-7-6-8-23(17-2,18-3)19-4/h14,16H,5-13H2,1-4H3
InChIKeyZPXJANUKRHDHTF-UHFFFAOYSA-N
XLogP1.08
TPSA75.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 51.08
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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Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethyloxetan-3-yl)methoxy]-3-(3-trimethoxysilylpropoxy)propan-2-ol?
The IUPAC name of 1-[(3-ethyloxetan-3-yl)methoxy]-3-(3-trimethoxysilylpropoxy)propan-2-ol (CID 58830711) is 1-[(3-ethyloxetan-3-yl)methoxy]-3-(3-trimethoxysilylpropoxy)propan-2-ol.
What is the SMILES notation for 1-[(3-ethyloxetan-3-yl)methoxy]-3-(3-trimethoxysilylpropoxy)propan-2-ol?
The canonical SMILES for 1-[(3-ethyloxetan-3-yl)methoxy]-3-(3-trimethoxysilylpropoxy)propan-2-ol is CCC1(COCC(O)COCCC[Si](OC)(OC)OC)COC1.
What is the InChIKey of 1-[(3-ethyloxetan-3-yl)methoxy]-3-(3-trimethoxysilylpropoxy)propan-2-ol?
The InChIKey is ZPXJANUKRHDHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O7Si/c1-5-15(12-22-13-15)11-21-10-14(16)9-20-7-6-8-23(17-2,18-3)19-4/h14,16H,5-13H2,1-4H3.
What are the key properties of 1-[(3-ethyloxetan-3-yl)methoxy]-3-(3-trimethoxysilylpropoxy)propan-2-ol?
1-[(3-ethyloxetan-3-yl)methoxy]-3-(3-trimethoxysilylpropoxy)propan-2-ol has a molecular weight of 352.50 g/mol, XLogP of 1.08, 14 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethyloxetan-3-yl)methoxy]-3-(3-trimethoxysilylpropoxy)propan-2-ol is sourced from PubChem (CID 58830711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).