4-(oxiran-2-yl)butan-1-ol;trimethoxysilane

C9H22O5Si — CID 175102290

IUPAC4-(oxiran-2-yl)butan-1-ol;trimethoxysilane
SMILESCO[SiH](OC)OC.OCCCCC1CO1
InChIInChI=1S/C6H12O2.C3H10O3Si/c7-4-2-1-3-6-5-8-6;1-4-7(5-2)6-3/h6-7H,1-5H2;7H,1-3H3
InChIKeyLUONMDMOAZVWOX-UHFFFAOYSA-N
MW238.36 g/mol
LogP0.19
Rot. Bonds7

About 4-(oxiran-2-yl)butan-1-ol;trimethoxysilane

4-(oxiran-2-yl)butan-1-ol;trimethoxysilane (PubChem CID 175102290) has the molecular formula C9H22O5Si and a molecular weight of 238.36 g/mol. Its IUPAC name is 4-(oxiran-2-yl)butan-1-ol;trimethoxysilane.

Molecular Properties

Compound Name4-(oxiran-2-yl)butan-1-ol;trimethoxysilane
PubChem CID175102290
Molecular FormulaC9H22O5Si
Molecular Weight238.36 g/mol
Exact Mass238.12
IUPAC Name4-(oxiran-2-yl)butan-1-ol;trimethoxysilane
SMILESCO[SiH](OC)OC.OCCCCC1CO1
InChIInChI=1S/C6H12O2.C3H10O3Si/c7-4-2-1-3-6-5-8-6;1-4-7(5-2)6-3/h6-7H,1-5H2;7H,1-3H3
InChIKeyLUONMDMOAZVWOX-UHFFFAOYSA-N
XLogP0.19
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-pentyloxirane
CID 11147691
2-(methoxymethyl)oxirane;trimethoxysilane
CID 173003709
(2R)-2-[14-[(2S)-oxiran-2-yl]tetradecyl]oxirane
CID 92538674
4-(1,4-dioxan-2-yl)butan-1-ol
CID 19815830
(2R)-2-octadecyloxirane
CID 98043533
2-tetradecyloxirane
CID 23741
2-tetratetracontyloxirane
CID 102093754
(2S)-2-pentadecyloxirane
CID 10706151
2-hexatetracontyloxirane
CID 102093756
2-hexadecyloxirane;2-hexyloxirane
CID 161227178
2-hexadecyloxirane;tetradecane
CID 174899291
2-butyloxirane;trimethylsilane
CID 174652516

Frequently Asked Questions

What is the IUPAC name of 4-(oxiran-2-yl)butan-1-ol;trimethoxysilane?
The IUPAC name of 4-(oxiran-2-yl)butan-1-ol;trimethoxysilane (CID 175102290) is 4-(oxiran-2-yl)butan-1-ol;trimethoxysilane.
What is the SMILES notation for 4-(oxiran-2-yl)butan-1-ol;trimethoxysilane?
The canonical SMILES for 4-(oxiran-2-yl)butan-1-ol;trimethoxysilane is CO[SiH](OC)OC.OCCCCC1CO1.
What is the InChIKey of 4-(oxiran-2-yl)butan-1-ol;trimethoxysilane?
The InChIKey is LUONMDMOAZVWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2.C3H10O3Si/c7-4-2-1-3-6-5-8-6;1-4-7(5-2)6-3/h6-7H,1-5H2;7H,1-3H3.
What are the key properties of 4-(oxiran-2-yl)butan-1-ol;trimethoxysilane?
4-(oxiran-2-yl)butan-1-ol;trimethoxysilane has a molecular weight of 238.36 g/mol, XLogP of 0.19, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxiran-2-yl)butan-1-ol;trimethoxysilane is sourced from PubChem (CID 175102290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).