(E,4R,5S,6S)-5-[diethyl(propan-2-yl)silyl]oxy-2,4,6-trimethylnon-2-en-8-yn-1-ol

C19H36O2Si — CID 24812839

IUPAC(E,4R,5S,6S)-5-[diethyl(propan-2-yl)silyl]oxy-2,4,6-trimethylnon-2-en-8-yn-1-ol
SMILESC#CC[C@H](C)[C@H](O[Si](CC)(CC)C(C)C)[C@H](C)/C=C(\C)CO
InChIInChI=1S/C19H36O2Si/c1-9-12-17(7)19(18(8)13-16(6)14-20)21-22(10-2,11-3)15(4)5/h1,13,15,17-20H,10-12,14H2,2-8H3/b16-13+/t17-,18+,19-/m0/s1
InChIKeyMOLPVFDSDKBWQD-LCUJEDGHSA-N
MW324.58 g/mol
LogP5.00
Rot. Bonds10

About (E,4R,5S,6S)-5-[diethyl(propan-2-yl)silyl]oxy-2,4,6-trimethylnon-2-en-8-yn-1-ol

(E,4R,5S,6S)-5-[diethyl(propan-2-yl)silyl]oxy-2,4,6-trimethylnon-2-en-8-yn-1-ol (PubChem CID 24812839) has the molecular formula C19H36O2Si and a molecular weight of 324.58 g/mol. Its IUPAC name is (E,4R,5S,6S)-5-[diethyl(propan-2-yl)silyl]oxy-2,4,6-trimethylnon-2-en-8-yn-1-ol.

Molecular Properties

Compound Name(E,4R,5S,6S)-5-[diethyl(propan-2-yl)silyl]oxy-2,4,6-trimethylnon-2-en-8-yn-1-ol
PubChem CID24812839
Molecular FormulaC19H36O2Si
Molecular Weight324.58 g/mol
Exact Mass324.25
IUPAC Name(E,4R,5S,6S)-5-[diethyl(propan-2-yl)silyl]oxy-2,4,6-trimethylnon-2-en-8-yn-1-ol
SMILESC#CC[C@H](C)[C@H](O[Si](CC)(CC)C(C)C)[C@H](C)/C=C(\C)CO
InChIInChI=1S/C19H36O2Si/c1-9-12-17(7)19(18(8)13-16(6)14-20)21-22(10-2,11-3)15(4)5/h1,13,15,17-20H,10-12,14H2,2-8H3/b16-13+/t17-,18+,19-/m0/s1
InChIKeyMOLPVFDSDKBWQD-LCUJEDGHSA-N
XLogP5.00
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.58
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E,4R,5S,6S)-5-[diethyl(propan-2-yl)silyl]oxy-2,4,6-trimethylnon-2-en-8-yn-1-ol?
The IUPAC name of (E,4R,5S,6S)-5-[diethyl(propan-2-yl)silyl]oxy-2,4,6-trimethylnon-2-en-8-yn-1-ol (CID 24812839) is (E,4R,5S,6S)-5-[diethyl(propan-2-yl)silyl]oxy-2,4,6-trimethylnon-2-en-8-yn-1-ol.
What is the SMILES notation for (E,4R,5S,6S)-5-[diethyl(propan-2-yl)silyl]oxy-2,4,6-trimethylnon-2-en-8-yn-1-ol?
The canonical SMILES for (E,4R,5S,6S)-5-[diethyl(propan-2-yl)silyl]oxy-2,4,6-trimethylnon-2-en-8-yn-1-ol is C#CC[C@H](C)[C@H](O[Si](CC)(CC)C(C)C)[C@H](C)/C=C(\C)CO.
What is the InChIKey of (E,4R,5S,6S)-5-[diethyl(propan-2-yl)silyl]oxy-2,4,6-trimethylnon-2-en-8-yn-1-ol?
The InChIKey is MOLPVFDSDKBWQD-LCUJEDGHSA-N. The full InChI is InChI=1S/C19H36O2Si/c1-9-12-17(7)19(18(8)13-16(6)14-20)21-22(10-2,11-3)15(4)5/h1,13,15,17-20H,10-12,14H2,2-8H3/b16-13+/t17-,18+,19-/m0/s1.
What are the key properties of (E,4R,5S,6S)-5-[diethyl(propan-2-yl)silyl]oxy-2,4,6-trimethylnon-2-en-8-yn-1-ol?
(E,4R,5S,6S)-5-[diethyl(propan-2-yl)silyl]oxy-2,4,6-trimethylnon-2-en-8-yn-1-ol has a molecular weight of 324.58 g/mol, XLogP of 5.00, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4R,5S,6S)-5-[diethyl(propan-2-yl)silyl]oxy-2,4,6-trimethylnon-2-en-8-yn-1-ol is sourced from PubChem (CID 24812839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).