(2R)-1-[tert-butyl(dimethyl)silyl]oxynonadec-4-yn-2-ol;hexadec-1-yne

C41H80O2Si — CID 164949414

IUPAC(2R)-1-[tert-butyl(dimethyl)silyl]oxynonadec-4-yn-2-ol;hexadec-1-yne
SMILESC#CCCCCCCCCCCCCCC.CCCCCCCCCCCCCCC#CC[C@@H](O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H50O2Si.C16H30/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24(26)23-27-28(5,6)25(2,3)4;1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h24,26H,7-19,22-23H2,1-6H3;1H,4-16H2,2H3/t24-;/m1./s1
InChIKeyAHYUAMWNJZYFAW-GJFSDDNBSA-N
MW633.18 g/mol
LogP13.56
Rot. Bonds28

About (2R)-1-[tert-butyl(dimethyl)silyl]oxynonadec-4-yn-2-ol;hexadec-1-yne

(2R)-1-[tert-butyl(dimethyl)silyl]oxynonadec-4-yn-2-ol;hexadec-1-yne (PubChem CID 164949414) has the molecular formula C41H80O2Si and a molecular weight of 633.18 g/mol. Its IUPAC name is (2R)-1-[tert-butyl(dimethyl)silyl]oxynonadec-4-yn-2-ol;hexadec-1-yne.

Molecular Properties

Compound Name(2R)-1-[tert-butyl(dimethyl)silyl]oxynonadec-4-yn-2-ol;hexadec-1-yne
PubChem CID164949414
Molecular FormulaC41H80O2Si
Molecular Weight633.18 g/mol
Exact Mass632.59
IUPAC Name(2R)-1-[tert-butyl(dimethyl)silyl]oxynonadec-4-yn-2-ol;hexadec-1-yne
SMILESC#CCCCCCCCCCCCCCC.CCCCCCCCCCCCCCC#CC[C@@H](O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H50O2Si.C16H30/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24(26)23-27-28(5,6)25(2,3)4;1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h24,26H,7-19,22-23H2,1-6H3;1H,4-16H2,2H3/t24-;/m1./s1
InChIKeyAHYUAMWNJZYFAW-GJFSDDNBSA-N
XLogP13.56
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds28
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500633.18
LogP ≤ 513.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[tert-butyl(dimethyl)silyl]oxyhenicosan-2-ol
CID 168831338
(2R)-1-[tert-butyl(dimethyl)silyl]oxyundecan-2-ol
CID 11266641
tert-butyl-[(10S)-henicos-7-yn-10-yl]oxy-dimethylsilane
CID 156597203
tert-butyl-hexadec-15-ynoxy-dimethylsilane
CID 23073442
dodec-2-yn-1-ol;undec-1-yne
CID 159187023
(4S,6R)-6-[tert-butyl(dimethyl)silyl]oxytridec-1-yn-4-ol
CID 57407601
tert-butyl-[(11R)-henicosa-6,9-diyn-11-yl]oxy-dimethylsilane
CID 71377830
2-bromooctoxy-tert-butyl-dimethylsilane
CID 19708690
1-[tert-butyl(dimethyl)silyl]oxypentan-2-ol
CID 10608878
2-[[tert-butyl(dimethyl)silyl]oxymethyl]dodecanoic acid
CID 25213691
[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl] tetradecanoate
CID 11015240
(2S)-1-[tert-butyl(dimethyl)silyl]oxybutan-2-ol
CID 86606837

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[tert-butyl(dimethyl)silyl]oxynonadec-4-yn-2-ol;hexadec-1-yne?
The IUPAC name of (2R)-1-[tert-butyl(dimethyl)silyl]oxynonadec-4-yn-2-ol;hexadec-1-yne (CID 164949414) is (2R)-1-[tert-butyl(dimethyl)silyl]oxynonadec-4-yn-2-ol;hexadec-1-yne.
What is the SMILES notation for (2R)-1-[tert-butyl(dimethyl)silyl]oxynonadec-4-yn-2-ol;hexadec-1-yne?
The canonical SMILES for (2R)-1-[tert-butyl(dimethyl)silyl]oxynonadec-4-yn-2-ol;hexadec-1-yne is C#CCCCCCCCCCCCCCC.CCCCCCCCCCCCCCC#CC[C@@H](O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2R)-1-[tert-butyl(dimethyl)silyl]oxynonadec-4-yn-2-ol;hexadec-1-yne?
The InChIKey is AHYUAMWNJZYFAW-GJFSDDNBSA-N. The full InChI is InChI=1S/C25H50O2Si.C16H30/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24(26)23-27-28(5,6)25(2,3)4;1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h24,26H,7-19,22-23H2,1-6H3;1H,4-16H2,2H3/t24-;/m1./s1.
What are the key properties of (2R)-1-[tert-butyl(dimethyl)silyl]oxynonadec-4-yn-2-ol;hexadec-1-yne?
(2R)-1-[tert-butyl(dimethyl)silyl]oxynonadec-4-yn-2-ol;hexadec-1-yne has a molecular weight of 633.18 g/mol, XLogP of 13.56, 28 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[tert-butyl(dimethyl)silyl]oxynonadec-4-yn-2-ol;hexadec-1-yne is sourced from PubChem (CID 164949414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).