4-[dimethyl(oxan-2-yl)silyl]butane-1,1-diol

C11H24O3Si — CID 175140530

IUPAC4-[dimethyl(oxan-2-yl)silyl]butane-1,1-diol
SMILESC[Si](C)(CCCC(O)O)C1CCCCO1
InChIInChI=1S/C11H24O3Si/c1-15(2,9-5-6-10(12)13)11-7-3-4-8-14-11/h10-13H,3-9H2,1-2H3
InChIKeyUVZSAVJWCHSMHM-UHFFFAOYSA-N
MW232.40 g/mol
LogP1.89
Rot. Bonds5

About 4-[dimethyl(oxan-2-yl)silyl]butane-1,1-diol

4-[dimethyl(oxan-2-yl)silyl]butane-1,1-diol (PubChem CID 175140530) has the molecular formula C11H24O3Si and a molecular weight of 232.40 g/mol. Its IUPAC name is 4-[dimethyl(oxan-2-yl)silyl]butane-1,1-diol.

Molecular Properties

Compound Name4-[dimethyl(oxan-2-yl)silyl]butane-1,1-diol
PubChem CID175140530
Molecular FormulaC11H24O3Si
Molecular Weight232.40 g/mol
Exact Mass232.15
IUPAC Name4-[dimethyl(oxan-2-yl)silyl]butane-1,1-diol
SMILESC[Si](C)(CCCC(O)O)C1CCCCO1
InChIInChI=1S/C11H24O3Si/c1-15(2,9-5-6-10(12)13)11-7-3-4-8-14-11/h10-13H,3-9H2,1-2H3
InChIKeyUVZSAVJWCHSMHM-UHFFFAOYSA-N
XLogP1.89
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.40
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[butyl-(hydroxymethyl)-(oxan-2-yl)silyl]methanol
CID 175142220
hexadecyl-methyl-octadecyl-(oxan-2-yl)silane
CID 175378767
4-[benzyl-methyl-(oxan-2-yl)silyl]butanenitrile
CID 69047618
(2R)-4-[(2R)-oxan-2-yl]butan-2-ol
CID 11171126
3-iodo-1-(oxan-2-yl)propan-1-ol
CID 57165332
3-(1,3-dioxan-2-yl)propane-1,1-diol
CID 144545120
1,3-bis(oxan-2-yl)butan-1-ol
CID 173130770
(2S)-2-[(2R)-oxan-2-yl]propan-1-ol
CID 102227489
(2R)-2-[(2R)-oxan-2-yl]propan-1-ol
CID 124662505
3-(oxan-2-yl)-1-(1-propylpyrazol-4-yl)propan-1-ol
CID 114981610
1-(oxan-2-yloxy)dec-2-yn-4-ol
CID 10944981
2-heptan-2-yloxane
CID 67835602

Frequently Asked Questions

What is the IUPAC name of 4-[dimethyl(oxan-2-yl)silyl]butane-1,1-diol?
The IUPAC name of 4-[dimethyl(oxan-2-yl)silyl]butane-1,1-diol (CID 175140530) is 4-[dimethyl(oxan-2-yl)silyl]butane-1,1-diol.
What is the SMILES notation for 4-[dimethyl(oxan-2-yl)silyl]butane-1,1-diol?
The canonical SMILES for 4-[dimethyl(oxan-2-yl)silyl]butane-1,1-diol is C[Si](C)(CCCC(O)O)C1CCCCO1.
What is the InChIKey of 4-[dimethyl(oxan-2-yl)silyl]butane-1,1-diol?
The InChIKey is UVZSAVJWCHSMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O3Si/c1-15(2,9-5-6-10(12)13)11-7-3-4-8-14-11/h10-13H,3-9H2,1-2H3.
What are the key properties of 4-[dimethyl(oxan-2-yl)silyl]butane-1,1-diol?
4-[dimethyl(oxan-2-yl)silyl]butane-1,1-diol has a molecular weight of 232.40 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[dimethyl(oxan-2-yl)silyl]butane-1,1-diol is sourced from PubChem (CID 175140530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).