(4S)-4,8-dimethyl-2-trimethylsilyloxynon-7-enenitrile

C14H27NOSi — CID 11064952

IUPAC(4S)-4,8-dimethyl-2-trimethylsilyloxynon-7-enenitrile
SMILESCC(C)=CCC[C@H](C)CC(C#N)O[Si](C)(C)C
InChIInChI=1S/C14H27NOSi/c1-12(2)8-7-9-13(3)10-14(11-15)16-17(4,5)6/h8,13-14H,7,9-10H2,1-6H3/t13-,14?/m0/s1
InChIKeyBDVVUYBKILNRDU-LSLKUGRBSA-N
MW253.46 g/mol
LogP4.50
Rot. Bonds7

About (4S)-4,8-dimethyl-2-trimethylsilyloxynon-7-enenitrile

(4S)-4,8-dimethyl-2-trimethylsilyloxynon-7-enenitrile (PubChem CID 11064952) has the molecular formula C14H27NOSi and a molecular weight of 253.46 g/mol. Its IUPAC name is (4S)-4,8-dimethyl-2-trimethylsilyloxynon-7-enenitrile.

Molecular Properties

Compound Name(4S)-4,8-dimethyl-2-trimethylsilyloxynon-7-enenitrile
PubChem CID11064952
Molecular FormulaC14H27NOSi
Molecular Weight253.46 g/mol
Exact Mass253.19
IUPAC Name(4S)-4,8-dimethyl-2-trimethylsilyloxynon-7-enenitrile
SMILESCC(C)=CCC[C@H](C)CC(C#N)O[Si](C)(C)C
InChIInChI=1S/C14H27NOSi/c1-12(2)8-7-9-13(3)10-14(11-15)16-17(4,5)6/h8,13-14H,7,9-10H2,1-6H3/t13-,14?/m0/s1
InChIKeyBDVVUYBKILNRDU-LSLKUGRBSA-N
XLogP4.50
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.46
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S)-4,8-dimethyl-2-trimethylsilyloxynon-7-enenitrile?
The IUPAC name of (4S)-4,8-dimethyl-2-trimethylsilyloxynon-7-enenitrile (CID 11064952) is (4S)-4,8-dimethyl-2-trimethylsilyloxynon-7-enenitrile.
What is the SMILES notation for (4S)-4,8-dimethyl-2-trimethylsilyloxynon-7-enenitrile?
The canonical SMILES for (4S)-4,8-dimethyl-2-trimethylsilyloxynon-7-enenitrile is CC(C)=CCC[C@H](C)CC(C#N)O[Si](C)(C)C.
What is the InChIKey of (4S)-4,8-dimethyl-2-trimethylsilyloxynon-7-enenitrile?
The InChIKey is BDVVUYBKILNRDU-LSLKUGRBSA-N. The full InChI is InChI=1S/C14H27NOSi/c1-12(2)8-7-9-13(3)10-14(11-15)16-17(4,5)6/h8,13-14H,7,9-10H2,1-6H3/t13-,14?/m0/s1.
What are the key properties of (4S)-4,8-dimethyl-2-trimethylsilyloxynon-7-enenitrile?
(4S)-4,8-dimethyl-2-trimethylsilyloxynon-7-enenitrile has a molecular weight of 253.46 g/mol, XLogP of 4.50, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4,8-dimethyl-2-trimethylsilyloxynon-7-enenitrile is sourced from PubChem (CID 11064952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).