(3R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-methylnon-7-ynal

C16H30O2Si — CID 11403317

IUPAC(3R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-methylnon-7-ynal
SMILESCC#C[C@@H](C)CC[C@H](CC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30O2Si/c1-8-9-14(2)10-11-15(12-13-17)18-19(6,7)16(3,4)5/h13-15H,10-12H2,1-7H3/t14-,15-/m1/s1
InChIKeySWOOVTJWGQZDKY-HUUCEWRRSA-N
MW282.50 g/mol
LogP4.41
Rot. Bonds7

About (3R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-methylnon-7-ynal

(3R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-methylnon-7-ynal (PubChem CID 11403317) has the molecular formula C16H30O2Si and a molecular weight of 282.50 g/mol. Its IUPAC name is (3R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-methylnon-7-ynal.

Molecular Properties

Compound Name(3R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-methylnon-7-ynal
PubChem CID11403317
Molecular FormulaC16H30O2Si
Molecular Weight282.50 g/mol
Exact Mass282.20
IUPAC Name(3R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-methylnon-7-ynal
SMILESCC#C[C@@H](C)CC[C@H](CC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30O2Si/c1-8-9-14(2)10-11-15(12-13-17)18-19(6,7)16(3,4)5/h13-15H,10-12H2,1-7H3/t14-,15-/m1/s1
InChIKeySWOOVTJWGQZDKY-HUUCEWRRSA-N
XLogP4.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.50
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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 (3R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-methylnon-7-ynal?
The IUPAC name of (3R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-methylnon-7-ynal (CID 11403317) is (3R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-methylnon-7-ynal.
What is the SMILES notation for (3R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-methylnon-7-ynal?
The canonical SMILES for (3R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-methylnon-7-ynal is CC#C[C@@H](C)CC[C@H](CC=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-methylnon-7-ynal?
The InChIKey is SWOOVTJWGQZDKY-HUUCEWRRSA-N. The full InChI is InChI=1S/C16H30O2Si/c1-8-9-14(2)10-11-15(12-13-17)18-19(6,7)16(3,4)5/h13-15H,10-12H2,1-7H3/t14-,15-/m1/s1.
What are the key properties of (3R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-methylnon-7-ynal?
(3R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-methylnon-7-ynal has a molecular weight of 282.50 g/mol, XLogP of 4.41, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-methylnon-7-ynal is sourced from PubChem (CID 11403317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).