(3R,4R,5R)-3,5-bis(methoxymethoxy)-4-triethylsilyloxyhept-6-enenitrile

C17H33NO5Si — CID 162517832

IUPAC(3R,4R,5R)-3,5-bis(methoxymethoxy)-4-triethylsilyloxyhept-6-enenitrile
SMILESC=C[C@@H](OCOC)[C@H](O[Si](CC)(CC)CC)[C@@H](CC#N)OCOC
InChIInChI=1S/C17H33NO5Si/c1-7-15(21-13-19-5)17(16(11-12-18)22-14-20-6)23-24(8-2,9-3)10-4/h7,15-17H,1,8-11,13-14H2,2-6H3/t15-,16-,17+/m1/s1
InChIKeyIGCCFSOFIHSHCR-ZACQAIPSSA-N
MW359.54 g/mol
LogP3.45
Rot. Bonds15

About (3R,4R,5R)-3,5-bis(methoxymethoxy)-4-triethylsilyloxyhept-6-enenitrile

(3R,4R,5R)-3,5-bis(methoxymethoxy)-4-triethylsilyloxyhept-6-enenitrile (PubChem CID 162517832) has the molecular formula C17H33NO5Si and a molecular weight of 359.54 g/mol. Its IUPAC name is (3R,4R,5R)-3,5-bis(methoxymethoxy)-4-triethylsilyloxyhept-6-enenitrile.

Molecular Properties

Compound Name(3R,4R,5R)-3,5-bis(methoxymethoxy)-4-triethylsilyloxyhept-6-enenitrile
PubChem CID162517832
Molecular FormulaC17H33NO5Si
Molecular Weight359.54 g/mol
Exact Mass359.21
IUPAC Name(3R,4R,5R)-3,5-bis(methoxymethoxy)-4-triethylsilyloxyhept-6-enenitrile
SMILESC=C[C@@H](OCOC)[C@H](O[Si](CC)(CC)CC)[C@@H](CC#N)OCOC
InChIInChI=1S/C17H33NO5Si/c1-7-15(21-13-19-5)17(16(11-12-18)22-14-20-6)23-24(8-2,9-3)10-4/h7,15-17H,1,8-11,13-14H2,2-6H3/t15-,16-,17+/m1/s1
InChIKeyIGCCFSOFIHSHCR-ZACQAIPSSA-N
XLogP3.45
TPSA69.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.54
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R,4R,5R)-3,5-bis(methoxymethoxy)-4-triethylsilyloxyhept-6-enenitrile?
The IUPAC name of (3R,4R,5R)-3,5-bis(methoxymethoxy)-4-triethylsilyloxyhept-6-enenitrile (CID 162517832) is (3R,4R,5R)-3,5-bis(methoxymethoxy)-4-triethylsilyloxyhept-6-enenitrile.
What is the SMILES notation for (3R,4R,5R)-3,5-bis(methoxymethoxy)-4-triethylsilyloxyhept-6-enenitrile?
The canonical SMILES for (3R,4R,5R)-3,5-bis(methoxymethoxy)-4-triethylsilyloxyhept-6-enenitrile is C=C[C@@H](OCOC)[C@H](O[Si](CC)(CC)CC)[C@@H](CC#N)OCOC.
What is the InChIKey of (3R,4R,5R)-3,5-bis(methoxymethoxy)-4-triethylsilyloxyhept-6-enenitrile?
The InChIKey is IGCCFSOFIHSHCR-ZACQAIPSSA-N. The full InChI is InChI=1S/C17H33NO5Si/c1-7-15(21-13-19-5)17(16(11-12-18)22-14-20-6)23-24(8-2,9-3)10-4/h7,15-17H,1,8-11,13-14H2,2-6H3/t15-,16-,17+/m1/s1.
What are the key properties of (3R,4R,5R)-3,5-bis(methoxymethoxy)-4-triethylsilyloxyhept-6-enenitrile?
(3R,4R,5R)-3,5-bis(methoxymethoxy)-4-triethylsilyloxyhept-6-enenitrile has a molecular weight of 359.54 g/mol, XLogP of 3.45, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5R)-3,5-bis(methoxymethoxy)-4-triethylsilyloxyhept-6-enenitrile is sourced from PubChem (CID 162517832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).