(9S)-1-[tert-butyl(dimethyl)silyl]oxyoctadec-17-en-4,6-diyn-9-ol

C24H42O2Si — CID 10385752

IUPAC(9S)-1-[tert-butyl(dimethyl)silyl]oxyoctadec-17-en-4,6-diyn-9-ol
SMILESC=CCCCCCCC[C@H](O)CC#CC#CCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H42O2Si/c1-7-8-9-10-11-14-17-20-23(25)21-18-15-12-13-16-19-22-26-27(5,6)24(2,3)4/h7,23,25H,1,8-11,14,16-17,19-22H2,2-6H3/t23-/m0/s1
InChIKeyQTSJPWKJABIRDL-QHCPKHFHSA-N
MW390.68 g/mol
LogP6.46
Rot. Bonds13

About (9S)-1-[tert-butyl(dimethyl)silyl]oxyoctadec-17-en-4,6-diyn-9-ol

(9S)-1-[tert-butyl(dimethyl)silyl]oxyoctadec-17-en-4,6-diyn-9-ol (PubChem CID 10385752) has the molecular formula C24H42O2Si and a molecular weight of 390.68 g/mol. Its IUPAC name is (9S)-1-[tert-butyl(dimethyl)silyl]oxyoctadec-17-en-4,6-diyn-9-ol.

Molecular Properties

Compound Name(9S)-1-[tert-butyl(dimethyl)silyl]oxyoctadec-17-en-4,6-diyn-9-ol
PubChem CID10385752
Molecular FormulaC24H42O2Si
Molecular Weight390.68 g/mol
Exact Mass390.30
IUPAC Name(9S)-1-[tert-butyl(dimethyl)silyl]oxyoctadec-17-en-4,6-diyn-9-ol
SMILESC=CCCCCCCC[C@H](O)CC#CC#CCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H42O2Si/c1-7-8-9-10-11-14-17-20-23(25)21-18-15-12-13-16-19-22-26-27(5,6)24(2,3)4/h7,23,25H,1,8-11,14,16-17,19-22H2,2-6H3/t23-/m0/s1
InChIKeyQTSJPWKJABIRDL-QHCPKHFHSA-N
XLogP6.46
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.68
LogP ≤ 56.46
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-dimethyl-octadec-17-enoxysilane
CID 24879926
13-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilyltridec-1-yn-7-ol
CID 86668329
(4S)-1-trimethylsilyldec-9-en-1-yn-4-ol
CID 11736254
1-[tert-butyl(dimethyl)silyl]oxy-9-trimethylsilylnon-8-yn-4-ol
CID 71427896
(4S,13Z,16Z)-1-[tert-butyl(dimethyl)silyl]oxydocosa-13,16-dien-4-ol
CID 125481290
(2S)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-2-ol
CID 163365178
(3R)-7-[tert-butyl(dimethyl)silyl]oxyheptane-1,3-diol
CID 15605935
(3R)-6-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-ol
CID 45101596
tert-butyl-[(E)-12,12-difluorododec-4-enoxy]-dimethylsilane
CID 59708132
(4S)-9-[tert-butyl(dimethyl)silyl]oxy-2-methylnon-1-en-6-yn-4-ol
CID 132603328
(3S)-1-[tert-butyl(dimethyl)silyl]oxydecan-3-ol
CID 125490283
12-[tert-butyl(diphenyl)silyl]oxydodec-1-en-6-ol
CID 168962199

Frequently Asked Questions

What is the IUPAC name of (9S)-1-[tert-butyl(dimethyl)silyl]oxyoctadec-17-en-4,6-diyn-9-ol?
The IUPAC name of (9S)-1-[tert-butyl(dimethyl)silyl]oxyoctadec-17-en-4,6-diyn-9-ol (CID 10385752) is (9S)-1-[tert-butyl(dimethyl)silyl]oxyoctadec-17-en-4,6-diyn-9-ol.
What is the SMILES notation for (9S)-1-[tert-butyl(dimethyl)silyl]oxyoctadec-17-en-4,6-diyn-9-ol?
The canonical SMILES for (9S)-1-[tert-butyl(dimethyl)silyl]oxyoctadec-17-en-4,6-diyn-9-ol is C=CCCCCCCC[C@H](O)CC#CC#CCCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (9S)-1-[tert-butyl(dimethyl)silyl]oxyoctadec-17-en-4,6-diyn-9-ol?
The InChIKey is QTSJPWKJABIRDL-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H42O2Si/c1-7-8-9-10-11-14-17-20-23(25)21-18-15-12-13-16-19-22-26-27(5,6)24(2,3)4/h7,23,25H,1,8-11,14,16-17,19-22H2,2-6H3/t23-/m0/s1.
What are the key properties of (9S)-1-[tert-butyl(dimethyl)silyl]oxyoctadec-17-en-4,6-diyn-9-ol?
(9S)-1-[tert-butyl(dimethyl)silyl]oxyoctadec-17-en-4,6-diyn-9-ol has a molecular weight of 390.68 g/mol, XLogP of 6.46, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9S)-1-[tert-butyl(dimethyl)silyl]oxyoctadec-17-en-4,6-diyn-9-ol is sourced from PubChem (CID 10385752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).