3-tert-butyl-2-(3-dimethylsilylpropoxy)-3,5,5-trimethylhexan-2-ol

C18H40O2Si — CID 123419718

IUPAC3-tert-butyl-2-(3-dimethylsilylpropoxy)-3,5,5-trimethylhexan-2-ol
SMILESC[SiH](C)CCCOC(C)(O)C(C)(CC(C)(C)C)C(C)(C)C
InChIInChI=1S/C18H40O2Si/c1-15(2,3)14-17(7,16(4,5)6)18(8,19)20-12-11-13-21(9)10/h19,21H,11-14H2,1-10H3
InChIKeyOECCDBNCRMNMDU-UHFFFAOYSA-N
MW316.60 g/mol
LogP5.08
Rot. Bonds7

About 3-tert-butyl-2-(3-dimethylsilylpropoxy)-3,5,5-trimethylhexan-2-ol

3-tert-butyl-2-(3-dimethylsilylpropoxy)-3,5,5-trimethylhexan-2-ol (PubChem CID 123419718) has the molecular formula C18H40O2Si and a molecular weight of 316.60 g/mol. Its IUPAC name is 3-tert-butyl-2-(3-dimethylsilylpropoxy)-3,5,5-trimethylhexan-2-ol.

Molecular Properties

Compound Name3-tert-butyl-2-(3-dimethylsilylpropoxy)-3,5,5-trimethylhexan-2-ol
PubChem CID123419718
Molecular FormulaC18H40O2Si
Molecular Weight316.60 g/mol
Exact Mass316.28
IUPAC Name3-tert-butyl-2-(3-dimethylsilylpropoxy)-3,5,5-trimethylhexan-2-ol
SMILESC[SiH](C)CCCOC(C)(O)C(C)(CC(C)(C)C)C(C)(C)C
InChIInChI=1S/C18H40O2Si/c1-15(2,3)14-17(7,16(4,5)6)18(8,19)20-12-11-13-21(9)10/h19,21H,11-14H2,1-10H3
InChIKeyOECCDBNCRMNMDU-UHFFFAOYSA-N
XLogP5.08
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.60
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-tert-butyl-2-(3-dimethylsilylpropoxy)-3,5,5-trimethylhexan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-2-(3-dimethylsilylpropoxy)-3,5,5-trimethylhexan-2-ol?
The IUPAC name of 3-tert-butyl-2-(3-dimethylsilylpropoxy)-3,5,5-trimethylhexan-2-ol (CID 123419718) is 3-tert-butyl-2-(3-dimethylsilylpropoxy)-3,5,5-trimethylhexan-2-ol.
What is the SMILES notation for 3-tert-butyl-2-(3-dimethylsilylpropoxy)-3,5,5-trimethylhexan-2-ol?
The canonical SMILES for 3-tert-butyl-2-(3-dimethylsilylpropoxy)-3,5,5-trimethylhexan-2-ol is C[SiH](C)CCCOC(C)(O)C(C)(CC(C)(C)C)C(C)(C)C.
What is the InChIKey of 3-tert-butyl-2-(3-dimethylsilylpropoxy)-3,5,5-trimethylhexan-2-ol?
The InChIKey is OECCDBNCRMNMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40O2Si/c1-15(2,3)14-17(7,16(4,5)6)18(8,19)20-12-11-13-21(9)10/h19,21H,11-14H2,1-10H3.
What are the key properties of 3-tert-butyl-2-(3-dimethylsilylpropoxy)-3,5,5-trimethylhexan-2-ol?
3-tert-butyl-2-(3-dimethylsilylpropoxy)-3,5,5-trimethylhexan-2-ol has a molecular weight of 316.60 g/mol, XLogP of 5.08, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-2-(3-dimethylsilylpropoxy)-3,5,5-trimethylhexan-2-ol is sourced from PubChem (CID 123419718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).