(2S,3R)-3-[tri(propan-2-yl)silyloxymethyl]hex-4-yne-1,2-diol

C16H32O3Si — CID 135042085

IUPAC(2S,3R)-3-[tri(propan-2-yl)silyloxymethyl]hex-4-yne-1,2-diol
SMILESCC#C[C@H](CO[Si](C(C)C)(C(C)C)C(C)C)[C@H](O)CO
InChIInChI=1S/C16H32O3Si/c1-8-9-15(16(18)10-17)11-19-20(12(2)3,13(4)5)14(6)7/h12-18H,10-11H2,1-7H3/t15-,16-/m1/s1
InChIKeyMCOXVJMYUIXJIA-HZPDHXFCSA-N
MW300.52 g/mol
LogP3.17
Rot. Bonds8

About (2S,3R)-3-[tri(propan-2-yl)silyloxymethyl]hex-4-yne-1,2-diol

(2S,3R)-3-[tri(propan-2-yl)silyloxymethyl]hex-4-yne-1,2-diol (PubChem CID 135042085) has the molecular formula C16H32O3Si and a molecular weight of 300.52 g/mol. Its IUPAC name is (2S,3R)-3-[tri(propan-2-yl)silyloxymethyl]hex-4-yne-1,2-diol.

Molecular Properties

Compound Name(2S,3R)-3-[tri(propan-2-yl)silyloxymethyl]hex-4-yne-1,2-diol
PubChem CID135042085
Molecular FormulaC16H32O3Si
Molecular Weight300.52 g/mol
Exact Mass300.21
IUPAC Name(2S,3R)-3-[tri(propan-2-yl)silyloxymethyl]hex-4-yne-1,2-diol
SMILESCC#C[C@H](CO[Si](C(C)C)(C(C)C)C(C)C)[C@H](O)CO
InChIInChI=1S/C16H32O3Si/c1-8-9-15(16(18)10-17)11-19-20(12(2)3,13(4)5)14(6)7/h12-18H,10-11H2,1-7H3/t15-,16-/m1/s1
InChIKeyMCOXVJMYUIXJIA-HZPDHXFCSA-N
XLogP3.17
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.52
LogP ≤ 53.17
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 (2S,3R)-3-[tri(propan-2-yl)silyloxymethyl]hex-4-yne-1,2-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

(2R,3S,4S,5R)-3,5-dimethyl-1-tri(propan-2-yl)silyloxyoct-6-yne-2,4-diol
CID 11089168
(2R,3R,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]hex-5-yn-2-ol
CID 11360351
(2S,3R,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-tri(propan-2-yl)silylhex-5-yn-3-ol
CID 11618217
(2R,3R,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-tri(propan-2-yl)silylhex-5-yn-3-ol
CID 11639893
(2S,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-4-yn-2-ol
CID 24881691
(2R,3R,4S,5R)-3,5-dimethyl-1-tri(propan-2-yl)silyloxyoct-6-yne-2,4-diol
CID 101369900
(2S,3S)-1-[tert-butyl(dimethyl)silyl]oxypent-4-yne-2,3-diol
CID 134841909
(2S,3R)-1-[tert-butyl(dimethyl)silyl]oxypent-4-yne-2,3-diol
CID 134842158
(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-yne-1,2-diol
CID 134859840
(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
(2R,3S,4S,5S)-3,5-dimethyl-1-tri(propan-2-yl)silyloxyoct-6-yne-2,4-diol
CID 134934598

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-[tri(propan-2-yl)silyloxymethyl]hex-4-yne-1,2-diol?
The IUPAC name of (2S,3R)-3-[tri(propan-2-yl)silyloxymethyl]hex-4-yne-1,2-diol (CID 135042085) is (2S,3R)-3-[tri(propan-2-yl)silyloxymethyl]hex-4-yne-1,2-diol.
What is the SMILES notation for (2S,3R)-3-[tri(propan-2-yl)silyloxymethyl]hex-4-yne-1,2-diol?
The canonical SMILES for (2S,3R)-3-[tri(propan-2-yl)silyloxymethyl]hex-4-yne-1,2-diol is CC#C[C@H](CO[Si](C(C)C)(C(C)C)C(C)C)[C@H](O)CO.
What is the InChIKey of (2S,3R)-3-[tri(propan-2-yl)silyloxymethyl]hex-4-yne-1,2-diol?
The InChIKey is MCOXVJMYUIXJIA-HZPDHXFCSA-N. The full InChI is InChI=1S/C16H32O3Si/c1-8-9-15(16(18)10-17)11-19-20(12(2)3,13(4)5)14(6)7/h12-18H,10-11H2,1-7H3/t15-,16-/m1/s1.
What are the key properties of (2S,3R)-3-[tri(propan-2-yl)silyloxymethyl]hex-4-yne-1,2-diol?
(2S,3R)-3-[tri(propan-2-yl)silyloxymethyl]hex-4-yne-1,2-diol has a molecular weight of 300.52 g/mol, XLogP of 3.17, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-[tri(propan-2-yl)silyloxymethyl]hex-4-yne-1,2-diol is sourced from PubChem (CID 135042085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).