(2R)-13-tri(propan-2-yl)silyltrideca-3,5,10,12-tetrayne-1,2-diol

C22H32O2Si — CID 11739790

IUPAC(2R)-13-tri(propan-2-yl)silyltrideca-3,5,10,12-tetrayne-1,2-diol
SMILESCC(C)[Si](C#CC#CCCCC#CC#C[C@@H](O)CO)(C(C)C)C(C)C
InChIInChI=1S/C22H32O2Si/c1-19(2)25(20(3)4,21(5)6)17-15-13-11-9-7-8-10-12-14-16-22(24)18-23/h19-24H,7-9,18H2,1-6H3/t22-/m1/s1
InChIKeyNCEVCMKGBCUPEE-JOCHJYFZSA-N
MW356.58 g/mol
LogP3.74
Rot. Bonds6

About (2R)-13-tri(propan-2-yl)silyltrideca-3,5,10,12-tetrayne-1,2-diol

(2R)-13-tri(propan-2-yl)silyltrideca-3,5,10,12-tetrayne-1,2-diol (PubChem CID 11739790) has the molecular formula C22H32O2Si and a molecular weight of 356.58 g/mol. Its IUPAC name is (2R)-13-tri(propan-2-yl)silyltrideca-3,5,10,12-tetrayne-1,2-diol.

Molecular Properties

Compound Name(2R)-13-tri(propan-2-yl)silyltrideca-3,5,10,12-tetrayne-1,2-diol
PubChem CID11739790
Molecular FormulaC22H32O2Si
Molecular Weight356.58 g/mol
Exact Mass356.22
IUPAC Name(2R)-13-tri(propan-2-yl)silyltrideca-3,5,10,12-tetrayne-1,2-diol
SMILESCC(C)[Si](C#CC#CCCCC#CC#C[C@@H](O)CO)(C(C)C)C(C)C
InChIInChI=1S/C22H32O2Si/c1-19(2)25(20(3)4,21(5)6)17-15-13-11-9-7-8-10-12-14-16-22(24)18-23/h19-24H,7-9,18H2,1-6H3/t22-/m1/s1
InChIKeyNCEVCMKGBCUPEE-JOCHJYFZSA-N
XLogP3.74
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.58
LogP ≤ 53.74
H-Bond Donors ≤ 52
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

6-Trimethylsilylhex-5-yn-3-ol
CID 10821058
(3R,4S)-4-triethylsilyloxy-1-trimethylsilylpent-1-yn-3-ol
CID 11140712
(3S,4S)-7-trimethylsilylhept-6-yne-3,4-diol
CID 11194997
(2R,3R,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]hex-5-yn-2-ol
CID 11360351
7-Trimethylsilylhept-5-yn-3-ol
CID 130127443
(2R,3R)-5-trimethylsilylpent-4-yne-2,3-diol
CID 130806955
(1S,7S,12S)-6,7,12-tris[tri(propan-2-yl)silyloxy]cyclododeca-2,4,8,10-tetrayn-1-ol
CID 134885114
4-Trimethylsilylundeca-2,6-diyn-5-ol
CID 134885203
(3S,4S)-4-triethylsilyloxy-1-trimethylsilylpent-1-yn-3-ol
CID 134992909
3-[Tert-butyl(dimethyl)silyl]-1-trimethylsilyldeca-1,5-diyn-4-ol
CID 135049710
(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxyhept-5-yn-3-ol
CID 138976820
(2S,3S)-3-triethylsilylpent-4-yne-1,2-diol
CID 162397168

Frequently Asked Questions

What is the IUPAC name of (2R)-13-tri(propan-2-yl)silyltrideca-3,5,10,12-tetrayne-1,2-diol?
The IUPAC name of (2R)-13-tri(propan-2-yl)silyltrideca-3,5,10,12-tetrayne-1,2-diol (CID 11739790) is (2R)-13-tri(propan-2-yl)silyltrideca-3,5,10,12-tetrayne-1,2-diol.
What is the SMILES notation for (2R)-13-tri(propan-2-yl)silyltrideca-3,5,10,12-tetrayne-1,2-diol?
The canonical SMILES for (2R)-13-tri(propan-2-yl)silyltrideca-3,5,10,12-tetrayne-1,2-diol is CC(C)[Si](C#CC#CCCCC#CC#C[C@@H](O)CO)(C(C)C)C(C)C.
What is the InChIKey of (2R)-13-tri(propan-2-yl)silyltrideca-3,5,10,12-tetrayne-1,2-diol?
The InChIKey is NCEVCMKGBCUPEE-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H32O2Si/c1-19(2)25(20(3)4,21(5)6)17-15-13-11-9-7-8-10-12-14-16-22(24)18-23/h19-24H,7-9,18H2,1-6H3/t22-/m1/s1.
What are the key properties of (2R)-13-tri(propan-2-yl)silyltrideca-3,5,10,12-tetrayne-1,2-diol?
(2R)-13-tri(propan-2-yl)silyltrideca-3,5,10,12-tetrayne-1,2-diol has a molecular weight of 356.58 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-13-tri(propan-2-yl)silyltrideca-3,5,10,12-tetrayne-1,2-diol is sourced from PubChem (CID 11739790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).