3-methylsilylpropan-1-ol;hydrate

C4H14O2Si — CID 174952857

IUPAC3-methylsilylpropan-1-ol;hydrate
SMILESC[SiH2]CCCO.O
InChIInChI=1S/C4H12OSi.H2O/c1-6-4-2-3-5;/h5H,2-4,6H2,1H3;1H2
InChIKeyOZEYWDXLNVJTRN-UHFFFAOYSA-N
MW122.24 g/mol
LogP-0.82
Rot. Bonds3

About 3-methylsilylpropan-1-ol;hydrate

3-methylsilylpropan-1-ol;hydrate (PubChem CID 174952857) has the molecular formula C4H14O2Si and a molecular weight of 122.24 g/mol. Its IUPAC name is 3-methylsilylpropan-1-ol;hydrate.

Molecular Properties

Compound Name3-methylsilylpropan-1-ol;hydrate
PubChem CID174952857
Molecular FormulaC4H14O2Si
Molecular Weight122.24 g/mol
Exact Mass122.08
IUPAC Name3-methylsilylpropan-1-ol;hydrate
SMILESC[SiH2]CCCO.O
InChIInChI=1S/C4H12OSi.H2O/c1-6-4-2-3-5;/h5H,2-4,6H2,1H3;1H2
InChIKeyOZEYWDXLNVJTRN-UHFFFAOYSA-N
XLogP-0.82
TPSA51.73 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.24
LogP ≤ 5-0.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

methane;4-methoxybutan-1-ol;methoxy(methyl)silane;3-methylsilylpropan-1-ol
CID 167674358
butan-1-ol;ethane-1,2-diol;methane;methoxy(methyl)silane;3-methylsilylpropan-1-ol;2-(3-methylsilylpropoxy)ethanol;2-pentoxyethanol
CID 158758148
butan-1-ol;methane;methoxy(methyl)silane;3-methylsilylpropan-1-ol;2-(3-methylsilylpropoxy)ethanol;1-propoxypentane
CID 159780367
methyl(propyl)silane;hydrate
CID 174865238
5-methylsilylpentan-1-amine
CID 175183110
azane;butan-1-ol;propan-1-ol
CID 87249235
CID 158543055
CID 158543055
hexane-1,6-diol;octane-1,8-diol
CID 21202869
tris(docosane-1,22-diol);octakis(heptadecane-1,17-diol)
CID 159258975
pentadecane-1,15-diol
CID 518994
dodecane-1,12-diol;tridecane-1,13-diol
CID 87338508
CID 157146691
CID 157146691

Frequently Asked Questions

What is the IUPAC name of 3-methylsilylpropan-1-ol;hydrate?
The IUPAC name of 3-methylsilylpropan-1-ol;hydrate (CID 174952857) is 3-methylsilylpropan-1-ol;hydrate.
What is the SMILES notation for 3-methylsilylpropan-1-ol;hydrate?
The canonical SMILES for 3-methylsilylpropan-1-ol;hydrate is C[SiH2]CCCO.O.
What is the InChIKey of 3-methylsilylpropan-1-ol;hydrate?
The InChIKey is OZEYWDXLNVJTRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12OSi.H2O/c1-6-4-2-3-5;/h5H,2-4,6H2,1H3;1H2.
What are the key properties of 3-methylsilylpropan-1-ol;hydrate?
3-methylsilylpropan-1-ol;hydrate has a molecular weight of 122.24 g/mol, XLogP of -0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsilylpropan-1-ol;hydrate is sourced from PubChem (CID 174952857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).