(3S)-5-[tert-butyl(dimethyl)silyl]-3-hydroxypent-4-ynenitrile

C11H19NOSi — CID 11009173

IUPAC(3S)-5-[tert-butyl(dimethyl)silyl]-3-hydroxypent-4-ynenitrile
SMILESCC(C)(C)[Si](C)(C)C#C[C@@H](O)CC#N
InChIInChI=1S/C11H19NOSi/c1-11(2,3)14(4,5)9-7-10(13)6-8-12/h10,13H,6H2,1-5H3/t10-/m0/s1
InChIKeySILSEGMTVYFORV-JTQLQIEISA-N
MW209.36 g/mol
LogP2.31
Rot. Bonds1

About (3S)-5-[tert-butyl(dimethyl)silyl]-3-hydroxypent-4-ynenitrile

(3S)-5-[tert-butyl(dimethyl)silyl]-3-hydroxypent-4-ynenitrile (PubChem CID 11009173) has the molecular formula C11H19NOSi and a molecular weight of 209.36 g/mol. Its IUPAC name is (3S)-5-[tert-butyl(dimethyl)silyl]-3-hydroxypent-4-ynenitrile.

Molecular Properties

Compound Name(3S)-5-[tert-butyl(dimethyl)silyl]-3-hydroxypent-4-ynenitrile
PubChem CID11009173
Molecular FormulaC11H19NOSi
Molecular Weight209.36 g/mol
Exact Mass209.12
IUPAC Name(3S)-5-[tert-butyl(dimethyl)silyl]-3-hydroxypent-4-ynenitrile
SMILESCC(C)(C)[Si](C)(C)C#C[C@@H](O)CC#N
InChIInChI=1S/C11H19NOSi/c1-11(2,3)14(4,5)9-7-10(13)6-8-12/h10,13H,6H2,1-5H3/t10-/m0/s1
InChIKeySILSEGMTVYFORV-JTQLQIEISA-N
XLogP2.31
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.36
LogP ≤ 52.31
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)-5-[tert-butyl(dimethyl)silyl]-3-hydroxypent-4-ynenitrile?
The IUPAC name of (3S)-5-[tert-butyl(dimethyl)silyl]-3-hydroxypent-4-ynenitrile (CID 11009173) is (3S)-5-[tert-butyl(dimethyl)silyl]-3-hydroxypent-4-ynenitrile.
What is the SMILES notation for (3S)-5-[tert-butyl(dimethyl)silyl]-3-hydroxypent-4-ynenitrile?
The canonical SMILES for (3S)-5-[tert-butyl(dimethyl)silyl]-3-hydroxypent-4-ynenitrile is CC(C)(C)[Si](C)(C)C#C[C@@H](O)CC#N.
What is the InChIKey of (3S)-5-[tert-butyl(dimethyl)silyl]-3-hydroxypent-4-ynenitrile?
The InChIKey is SILSEGMTVYFORV-JTQLQIEISA-N. The full InChI is InChI=1S/C11H19NOSi/c1-11(2,3)14(4,5)9-7-10(13)6-8-12/h10,13H,6H2,1-5H3/t10-/m0/s1.
What are the key properties of (3S)-5-[tert-butyl(dimethyl)silyl]-3-hydroxypent-4-ynenitrile?
(3S)-5-[tert-butyl(dimethyl)silyl]-3-hydroxypent-4-ynenitrile has a molecular weight of 209.36 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-[tert-butyl(dimethyl)silyl]-3-hydroxypent-4-ynenitrile is sourced from PubChem (CID 11009173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).