(3S)-3-hydroxy-6-trimethylsilylhex-5-ynenitrile

C9H15NOSi — CID 11095245

IUPAC(3S)-3-hydroxy-6-trimethylsilylhex-5-ynenitrile
SMILESC[Si](C)(C)C#CC[C@H](O)CC#N
InChIInChI=1S/C9H15NOSi/c1-12(2,3)8-4-5-9(11)6-7-10/h9,11H,5-6H2,1-3H3/t9-/m0/s1
InChIKeyDGKRLEIDYPTBCO-VIFPVBQESA-N
MW181.31 g/mol
LogP1.53
Rot. Bonds2

About (3S)-3-hydroxy-6-trimethylsilylhex-5-ynenitrile

(3S)-3-hydroxy-6-trimethylsilylhex-5-ynenitrile (PubChem CID 11095245) has the molecular formula C9H15NOSi and a molecular weight of 181.31 g/mol. Its IUPAC name is (3S)-3-hydroxy-6-trimethylsilylhex-5-ynenitrile.

Molecular Properties

Compound Name(3S)-3-hydroxy-6-trimethylsilylhex-5-ynenitrile
PubChem CID11095245
Molecular FormulaC9H15NOSi
Molecular Weight181.31 g/mol
Exact Mass181.09
IUPAC Name(3S)-3-hydroxy-6-trimethylsilylhex-5-ynenitrile
SMILESC[Si](C)(C)C#CC[C@H](O)CC#N
InChIInChI=1S/C9H15NOSi/c1-12(2,3)8-4-5-9(11)6-7-10/h9,11H,5-6H2,1-3H3/t9-/m0/s1
InChIKeyDGKRLEIDYPTBCO-VIFPVBQESA-N
XLogP1.53
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.31
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-hydroxy-6-trimethylsilylhex-5-ynenitrile?
The IUPAC name of (3S)-3-hydroxy-6-trimethylsilylhex-5-ynenitrile (CID 11095245) is (3S)-3-hydroxy-6-trimethylsilylhex-5-ynenitrile.
What is the SMILES notation for (3S)-3-hydroxy-6-trimethylsilylhex-5-ynenitrile?
The canonical SMILES for (3S)-3-hydroxy-6-trimethylsilylhex-5-ynenitrile is C[Si](C)(C)C#CC[C@H](O)CC#N.
What is the InChIKey of (3S)-3-hydroxy-6-trimethylsilylhex-5-ynenitrile?
The InChIKey is DGKRLEIDYPTBCO-VIFPVBQESA-N. The full InChI is InChI=1S/C9H15NOSi/c1-12(2,3)8-4-5-9(11)6-7-10/h9,11H,5-6H2,1-3H3/t9-/m0/s1.
What are the key properties of (3S)-3-hydroxy-6-trimethylsilylhex-5-ynenitrile?
(3S)-3-hydroxy-6-trimethylsilylhex-5-ynenitrile has a molecular weight of 181.31 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-hydroxy-6-trimethylsilylhex-5-ynenitrile is sourced from PubChem (CID 11095245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).