(2R)-4-trimethylsilylbutan-2-ol

C7H18OSi — CID 642575

IUPAC(2R)-4-trimethylsilylbutan-2-ol
SMILESC[C@@H](O)CC[Si](C)(C)C
InChIInChI=1S/C7H18OSi/c1-7(8)5-6-9(2,3)4/h7-8H,5-6H2,1-4H3/t7-/m1/s1
InChIKeyLWTFDVUGIJDHAX-SSDOTTSWSA-N
MW146.31 g/mol
LogP2.10
Rot. Bonds3

About (2R)-4-trimethylsilylbutan-2-ol

(2R)-4-trimethylsilylbutan-2-ol (PubChem CID 642575) has the molecular formula C7H18OSi and a molecular weight of 146.31 g/mol. Its IUPAC name is (2R)-4-trimethylsilylbutan-2-ol.

Molecular Properties

Compound Name(2R)-4-trimethylsilylbutan-2-ol
PubChem CID642575
Molecular FormulaC7H18OSi
Molecular Weight146.31 g/mol
Exact Mass146.11
IUPAC Name(2R)-4-trimethylsilylbutan-2-ol
SMILESC[C@@H](O)CC[Si](C)(C)C
InChIInChI=1S/C7H18OSi/c1-7(8)5-6-9(2,3)4/h7-8H,5-6H2,1-4H3/t7-/m1/s1
InChIKeyLWTFDVUGIJDHAX-SSDOTTSWSA-N
XLogP2.10
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.31
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-trimethylsilylbutan-2-ol?
The IUPAC name of (2R)-4-trimethylsilylbutan-2-ol (CID 642575) is (2R)-4-trimethylsilylbutan-2-ol.
What is the SMILES notation for (2R)-4-trimethylsilylbutan-2-ol?
The canonical SMILES for (2R)-4-trimethylsilylbutan-2-ol is C[C@@H](O)CC[Si](C)(C)C.
What is the InChIKey of (2R)-4-trimethylsilylbutan-2-ol?
The InChIKey is LWTFDVUGIJDHAX-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H18OSi/c1-7(8)5-6-9(2,3)4/h7-8H,5-6H2,1-4H3/t7-/m1/s1.
What are the key properties of (2R)-4-trimethylsilylbutan-2-ol?
(2R)-4-trimethylsilylbutan-2-ol has a molecular weight of 146.31 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-trimethylsilylbutan-2-ol is sourced from PubChem (CID 642575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).