4-[dimethyl(2,4,4-trimethylpentan-2-yl)silyl]-2,2,4-trimethylpentan-1-ol

C18H40OSi — CID 91130970

IUPAC4-[dimethyl(2,4,4-trimethylpentan-2-yl)silyl]-2,2,4-trimethylpentan-1-ol
SMILESCC(C)(C)CC(C)(C)[Si](C)(C)C(C)(C)CC(C)(C)CO
InChIInChI=1S/C18H40OSi/c1-15(2,3)12-17(6,7)20(10,11)18(8,9)13-16(4,5)14-19/h19H,12-14H2,1-11H3
InChIKeyLWBPZEJSPTXITD-UHFFFAOYSA-N
MW300.60 g/mol
LogP6.10
Rot. Bonds6

About 4-[dimethyl(2,4,4-trimethylpentan-2-yl)silyl]-2,2,4-trimethylpentan-1-ol

4-[dimethyl(2,4,4-trimethylpentan-2-yl)silyl]-2,2,4-trimethylpentan-1-ol (PubChem CID 91130970) has the molecular formula C18H40OSi and a molecular weight of 300.60 g/mol. Its IUPAC name is 4-[dimethyl(2,4,4-trimethylpentan-2-yl)silyl]-2,2,4-trimethylpentan-1-ol.

Molecular Properties

Compound Name4-[dimethyl(2,4,4-trimethylpentan-2-yl)silyl]-2,2,4-trimethylpentan-1-ol
PubChem CID91130970
Molecular FormulaC18H40OSi
Molecular Weight300.60 g/mol
Exact Mass300.28
IUPAC Name4-[dimethyl(2,4,4-trimethylpentan-2-yl)silyl]-2,2,4-trimethylpentan-1-ol
SMILESCC(C)(C)CC(C)(C)[Si](C)(C)C(C)(C)CC(C)(C)CO
InChIInChI=1S/C18H40OSi/c1-15(2,3)12-17(6,7)20(10,11)18(8,9)13-16(4,5)14-19/h19H,12-14H2,1-11H3
InChIKeyLWBPZEJSPTXITD-UHFFFAOYSA-N
XLogP6.10
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.60
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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2,2-dimethylpropane-1,3-diol;hydrobromide
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2,2-dimethylpropane-1,3-diol;dihydrochloride
CID 172807554
CID 87364467
CID 87364467
2,2,4,4-tetramethyl-5-sulfanylpentan-1-ol
CID 88863365
2,2,4-trimethyl-4-(oxiran-2-ylamino)pentan-1-ol
CID 91132271
2,2,4,4,8,8,10,10-octamethylundec-5-yn-1-ol
CID 118518087
5,5,5-triiodo-2,2,4,4-tetramethylpentan-1-ol
CID 130441965
3-(3-hydroxy-2,2-dimethylpropoxy)-2,2-dimethylpropan-1-ol
CID 14512536
(5-hydroxy-2,4,4-trimethylpentan-2-yl) hydrogen carbonate
CID 150990744
2,2,4,4,6,6-hexamethylheptane
CID 2795065
alumane;2,2-dimethylpropan-1-ol
CID 174479314

Frequently Asked Questions

What is the IUPAC name of 4-[dimethyl(2,4,4-trimethylpentan-2-yl)silyl]-2,2,4-trimethylpentan-1-ol?
The IUPAC name of 4-[dimethyl(2,4,4-trimethylpentan-2-yl)silyl]-2,2,4-trimethylpentan-1-ol (CID 91130970) is 4-[dimethyl(2,4,4-trimethylpentan-2-yl)silyl]-2,2,4-trimethylpentan-1-ol.
What is the SMILES notation for 4-[dimethyl(2,4,4-trimethylpentan-2-yl)silyl]-2,2,4-trimethylpentan-1-ol?
The canonical SMILES for 4-[dimethyl(2,4,4-trimethylpentan-2-yl)silyl]-2,2,4-trimethylpentan-1-ol is CC(C)(C)CC(C)(C)[Si](C)(C)C(C)(C)CC(C)(C)CO.
What is the InChIKey of 4-[dimethyl(2,4,4-trimethylpentan-2-yl)silyl]-2,2,4-trimethylpentan-1-ol?
The InChIKey is LWBPZEJSPTXITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40OSi/c1-15(2,3)12-17(6,7)20(10,11)18(8,9)13-16(4,5)14-19/h19H,12-14H2,1-11H3.
What are the key properties of 4-[dimethyl(2,4,4-trimethylpentan-2-yl)silyl]-2,2,4-trimethylpentan-1-ol?
4-[dimethyl(2,4,4-trimethylpentan-2-yl)silyl]-2,2,4-trimethylpentan-1-ol has a molecular weight of 300.60 g/mol, XLogP of 6.10, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[dimethyl(2,4,4-trimethylpentan-2-yl)silyl]-2,2,4-trimethylpentan-1-ol is sourced from PubChem (CID 91130970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).