(4S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-1,9-diethoxynona-1,8-diyne-4,6-diol

C19H34O5Si — CID 134872461

IUPAC(4S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-1,9-diethoxynona-1,8-diyne-4,6-diol
SMILESCCOC#CC[C@H](O)C(O[Si](C)(C)C(C)(C)C)[C@@H](O)CC#COCC
InChIInChI=1S/C19H34O5Si/c1-8-22-14-10-12-16(20)18(17(21)13-11-15-23-9-2)24-25(6,7)19(3,4)5/h16-18,20-21H,8-9,12-13H2,1-7H3/t16-,17-/m0/s1
InChIKeyCNIWTRLXZLXLEW-IRXDYDNUSA-N
MW370.56 g/mol
LogP2.87
Rot. Bonds8

About (4S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-1,9-diethoxynona-1,8-diyne-4,6-diol

(4S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-1,9-diethoxynona-1,8-diyne-4,6-diol (PubChem CID 134872461) has the molecular formula C19H34O5Si and a molecular weight of 370.56 g/mol. Its IUPAC name is (4S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-1,9-diethoxynona-1,8-diyne-4,6-diol.

Molecular Properties

Compound Name(4S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-1,9-diethoxynona-1,8-diyne-4,6-diol
PubChem CID134872461
Molecular FormulaC19H34O5Si
Molecular Weight370.56 g/mol
Exact Mass370.22
IUPAC Name(4S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-1,9-diethoxynona-1,8-diyne-4,6-diol
SMILESCCOC#CC[C@H](O)C(O[Si](C)(C)C(C)(C)C)[C@@H](O)CC#COCC
InChIInChI=1S/C19H34O5Si/c1-8-22-14-10-12-16(20)18(17(21)13-11-15-23-9-2)24-25(6,7)19(3,4)5/h16-18,20-21H,8-9,12-13H2,1-7H3/t16-,17-/m0/s1
InChIKeyCNIWTRLXZLXLEW-IRXDYDNUSA-N
XLogP2.87
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.56
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (4S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-1,9-diethoxynona-1,8-diyne-4,6-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-triethylsilyloxy-1-trimethylsilylhept-1-yn-3-ol
CID 11305351
(2R,3R,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]hex-5-yn-2-ol
CID 11360351
(5r,6r)-1,6-Di-t-butyldimethylsiloxy-5-hydroxyheptadec-2-yne
CID 129776450
(3R,4S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-1-trimethylsilylhex-1-yn-3-ol
CID 134930779
(3S,4S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-1-trimethylsilylhex-1-yn-3-ol
CID 134930780
16-[Tert-butyl(dimethyl)silyl]oxyicosa-5,14-diyn-1-ol
CID 86215518
3-[(10R)-10-[tert-butyl(dimethyl)silyl]oxytetradec-8-ynoxy]propan-1-ol
CID 87948277
(15R)-15-[tert-butyl(dimethyl)silyl]oxynonadeca-4,13-diyn-1-ol
CID 87979355
15-[Tert-butyl(dimethyl)silyl]oxynonadeca-4,13-diyn-1-ol
CID 87979356
(16R)-16-[tert-butyl(dimethyl)silyl]oxyicosa-5,14-diyn-1-ol
CID 87979847
1-[3-(Heptyl-methoxy-methylsilyl)propoxy]butane-2,3-diol
CID 141692508
potassium;(2R)-1-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilylhex-5-yn-2-ol;ethanol;(3S)-hept-6-yn-3-ol;hydroxide
CID 159690064

Frequently Asked Questions

What is the IUPAC name of (4S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-1,9-diethoxynona-1,8-diyne-4,6-diol?
The IUPAC name of (4S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-1,9-diethoxynona-1,8-diyne-4,6-diol (CID 134872461) is (4S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-1,9-diethoxynona-1,8-diyne-4,6-diol.
What is the SMILES notation for (4S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-1,9-diethoxynona-1,8-diyne-4,6-diol?
The canonical SMILES for (4S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-1,9-diethoxynona-1,8-diyne-4,6-diol is CCOC#CC[C@H](O)C(O[Si](C)(C)C(C)(C)C)[C@@H](O)CC#COCC.
What is the InChIKey of (4S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-1,9-diethoxynona-1,8-diyne-4,6-diol?
The InChIKey is CNIWTRLXZLXLEW-IRXDYDNUSA-N. The full InChI is InChI=1S/C19H34O5Si/c1-8-22-14-10-12-16(20)18(17(21)13-11-15-23-9-2)24-25(6,7)19(3,4)5/h16-18,20-21H,8-9,12-13H2,1-7H3/t16-,17-/m0/s1.
What are the key properties of (4S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-1,9-diethoxynona-1,8-diyne-4,6-diol?
(4S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-1,9-diethoxynona-1,8-diyne-4,6-diol has a molecular weight of 370.56 g/mol, XLogP of 2.87, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-1,9-diethoxynona-1,8-diyne-4,6-diol is sourced from PubChem (CID 134872461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).