3-[dihydroxy(methoxy)silyl]oxybutan-2-ol

C5H14O5Si — CID 163366479

IUPAC3-[dihydroxy(methoxy)silyl]oxybutan-2-ol
SMILESCO[Si](O)(O)OC(C)C(C)O
InChIInChI=1S/C5H14O5Si/c1-4(6)5(2)10-11(7,8)9-3/h4-8H,1-3H3
InChIKeyUOMXJNDKOAKKNY-UHFFFAOYSA-N
MW182.25 g/mol
LogP-1.16
Rot. Bonds4

About 3-[dihydroxy(methoxy)silyl]oxybutan-2-ol

3-[dihydroxy(methoxy)silyl]oxybutan-2-ol (PubChem CID 163366479) has the molecular formula C5H14O5Si and a molecular weight of 182.25 g/mol. Its IUPAC name is 3-[dihydroxy(methoxy)silyl]oxybutan-2-ol.

Molecular Properties

Compound Name3-[dihydroxy(methoxy)silyl]oxybutan-2-ol
PubChem CID163366479
Molecular FormulaC5H14O5Si
Molecular Weight182.25 g/mol
Exact Mass182.06
IUPAC Name3-[dihydroxy(methoxy)silyl]oxybutan-2-ol
SMILESCO[Si](O)(O)OC(C)C(C)O
InChIInChI=1S/C5H14O5Si/c1-4(6)5(2)10-11(7,8)9-3/h4-8H,1-3H3
InChIKeyUOMXJNDKOAKKNY-UHFFFAOYSA-N
XLogP-1.16
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.25
LogP ≤ 5-1.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S,3S)-3-tri(propan-2-yl)silyloxybutan-2-ol
CID 11118360
[[dihydroxy(methoxy)silyl]oxy-dihydroxysilyl]oxymethanediol
CID 21335543
tetrakis(3-methoxybutan-2-ol);titanium
CID 87400575
3-(1-aminopropyl-ethoxy-methoxysilyl)oxybutan-2-ol
CID 141086045
deuterium monohydride;3-methoxybutan-2-ol;phosphane
CID 157416424
3-[3-[3-[3-[3-(3-hydroxybutan-2-yloxy)butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-ol
CID 21495812
(2S,3S)-3-hydroperoxybutan-2-ol
CID 133064662
cerium;tetrakis(propan-2-ol)
CID 87109563
(2R,3R)-butane-2,3-diol;(2R,3S)-butane-2,3-diol
CID 161487042
(3S)-3-(hydroxymethoxy)butan-2-ol
CID 145435326
3-[C-(3-hydroxybutan-2-yloxy)carbonimidoyl]oxybutan-2-ol
CID 90287697
methyl 4-hydroxypent-2-ynoate
CID 10396859

Frequently Asked Questions

What is the IUPAC name of 3-[dihydroxy(methoxy)silyl]oxybutan-2-ol?
The IUPAC name of 3-[dihydroxy(methoxy)silyl]oxybutan-2-ol (CID 163366479) is 3-[dihydroxy(methoxy)silyl]oxybutan-2-ol.
What is the SMILES notation for 3-[dihydroxy(methoxy)silyl]oxybutan-2-ol?
The canonical SMILES for 3-[dihydroxy(methoxy)silyl]oxybutan-2-ol is CO[Si](O)(O)OC(C)C(C)O.
What is the InChIKey of 3-[dihydroxy(methoxy)silyl]oxybutan-2-ol?
The InChIKey is UOMXJNDKOAKKNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14O5Si/c1-4(6)5(2)10-11(7,8)9-3/h4-8H,1-3H3.
What are the key properties of 3-[dihydroxy(methoxy)silyl]oxybutan-2-ol?
3-[dihydroxy(methoxy)silyl]oxybutan-2-ol has a molecular weight of 182.25 g/mol, XLogP of -1.16, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[dihydroxy(methoxy)silyl]oxybutan-2-ol is sourced from PubChem (CID 163366479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).