(5R,9S)-2,9-dimethyl-10-tri(propan-2-yl)silyloxydec-3-yne-2,5-diol

C21H42O3Si — CID 11314714

IUPAC(5R,9S)-2,9-dimethyl-10-tri(propan-2-yl)silyloxydec-3-yne-2,5-diol
SMILESCC(C)[Si](OC[C@@H](C)CCC[C@@H](O)C#CC(C)(C)O)(C(C)C)C(C)C
InChIInChI=1S/C21H42O3Si/c1-16(2)25(17(3)4,18(5)6)24-15-19(7)11-10-12-20(22)13-14-21(8,9)23/h16-20,22-23H,10-12,15H2,1-9H3/t19-,20+/m0/s1
InChIKeyWVUGFYLYHFCNHD-VQTJNVASSA-N
MW370.65 g/mol
LogP5.12
Rot. Bonds10

About (5R,9S)-2,9-dimethyl-10-tri(propan-2-yl)silyloxydec-3-yne-2,5-diol

(5R,9S)-2,9-dimethyl-10-tri(propan-2-yl)silyloxydec-3-yne-2,5-diol (PubChem CID 11314714) has the molecular formula C21H42O3Si and a molecular weight of 370.65 g/mol. Its IUPAC name is (5R,9S)-2,9-dimethyl-10-tri(propan-2-yl)silyloxydec-3-yne-2,5-diol.

Molecular Properties

Compound Name(5R,9S)-2,9-dimethyl-10-tri(propan-2-yl)silyloxydec-3-yne-2,5-diol
PubChem CID11314714
Molecular FormulaC21H42O3Si
Molecular Weight370.65 g/mol
Exact Mass370.29
IUPAC Name(5R,9S)-2,9-dimethyl-10-tri(propan-2-yl)silyloxydec-3-yne-2,5-diol
SMILESCC(C)[Si](OC[C@@H](C)CCC[C@@H](O)C#CC(C)(C)O)(C(C)C)C(C)C
InChIInChI=1S/C21H42O3Si/c1-16(2)25(17(3)4,18(5)6)24-15-19(7)11-10-12-20(22)13-14-21(8,9)23/h16-20,22-23H,10-12,15H2,1-9H3/t19-,20+/m0/s1
InChIKeyWVUGFYLYHFCNHD-VQTJNVASSA-N
XLogP5.12
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.65
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (5R,9S)-2,9-dimethyl-10-tri(propan-2-yl)silyloxydec-3-yne-2,5-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,4R)-3-methyl-1-trimethylsilyldec-1-yn-4-ol
CID 10657710
(3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-7-methyl-1-trimethylsilyloct-1-yn-3-ol
CID 11393738
(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-7-methyl-1-trimethylsilyloct-1-yn-3-ol
CID 11416604
17-Methyl-1-trimethylsilylpentacos-1-yn-3-ol
CID 91252750
(6R,12R)-12-[tert-butyl(dimethyl)silyl]oxy-13-methyltetradecan-6-ol
CID 101202761
(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylpent-2-yn-1-ol
CID 102055795
(3S,4R)-2-methyl-4-(2-trimethylsilylethynyl)undecan-3-ol
CID 102080041
(2r,14r)-2-Hydroxy-14-(t-butyldimethylsilyloxy)-8-heptadecyne
CID 129866121
(14r)-2-Hydroxy-14-(t-butyldimethylsilyloxy)-8-heptadecyne
CID 129866468
(2S,13R)-13-[tert-butyl(dimethyl)silyl]oxyhexadec-14-yn-2-ol
CID 134846117
(2R,4S,6S)-2,4-dimethyl-6-tri(propan-2-yl)silyloxynonan-1-ol
CID 135014072
(2R,4R,6S)-2,4-dimethyl-6-tri(propan-2-yl)silyloxynonan-1-ol
CID 135014073

Frequently Asked Questions

What is the IUPAC name of (5R,9S)-2,9-dimethyl-10-tri(propan-2-yl)silyloxydec-3-yne-2,5-diol?
The IUPAC name of (5R,9S)-2,9-dimethyl-10-tri(propan-2-yl)silyloxydec-3-yne-2,5-diol (CID 11314714) is (5R,9S)-2,9-dimethyl-10-tri(propan-2-yl)silyloxydec-3-yne-2,5-diol.
What is the SMILES notation for (5R,9S)-2,9-dimethyl-10-tri(propan-2-yl)silyloxydec-3-yne-2,5-diol?
The canonical SMILES for (5R,9S)-2,9-dimethyl-10-tri(propan-2-yl)silyloxydec-3-yne-2,5-diol is CC(C)[Si](OC[C@@H](C)CCC[C@@H](O)C#CC(C)(C)O)(C(C)C)C(C)C.
What is the InChIKey of (5R,9S)-2,9-dimethyl-10-tri(propan-2-yl)silyloxydec-3-yne-2,5-diol?
The InChIKey is WVUGFYLYHFCNHD-VQTJNVASSA-N. The full InChI is InChI=1S/C21H42O3Si/c1-16(2)25(17(3)4,18(5)6)24-15-19(7)11-10-12-20(22)13-14-21(8,9)23/h16-20,22-23H,10-12,15H2,1-9H3/t19-,20+/m0/s1.
What are the key properties of (5R,9S)-2,9-dimethyl-10-tri(propan-2-yl)silyloxydec-3-yne-2,5-diol?
(5R,9S)-2,9-dimethyl-10-tri(propan-2-yl)silyloxydec-3-yne-2,5-diol has a molecular weight of 370.65 g/mol, XLogP of 5.12, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,9S)-2,9-dimethyl-10-tri(propan-2-yl)silyloxydec-3-yne-2,5-diol is sourced from PubChem (CID 11314714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).