(4S,5R)-4-methyl-6-tri(propan-2-yl)silyloxyhex-2-yne-1,5-diol

C16H32O3Si — CID 102322037

IUPAC(4S,5R)-4-methyl-6-tri(propan-2-yl)silyloxyhex-2-yne-1,5-diol
SMILESCC(C)[Si](OC[C@H](O)[C@@H](C)C#CCO)(C(C)C)C(C)C
InChIInChI=1S/C16H32O3Si/c1-12(2)20(13(3)4,14(5)6)19-11-16(18)15(7)9-8-10-17/h12-18H,10-11H2,1-7H3/t15-,16-/m0/s1
InChIKeyPGHRFJJMLWAJIA-HOTGVXAUSA-N
MW300.52 g/mol
LogP3.17
Rot. Bonds7

About (4S,5R)-4-methyl-6-tri(propan-2-yl)silyloxyhex-2-yne-1,5-diol

(4S,5R)-4-methyl-6-tri(propan-2-yl)silyloxyhex-2-yne-1,5-diol (PubChem CID 102322037) has the molecular formula C16H32O3Si and a molecular weight of 300.52 g/mol. Its IUPAC name is (4S,5R)-4-methyl-6-tri(propan-2-yl)silyloxyhex-2-yne-1,5-diol.

Molecular Properties

Compound Name(4S,5R)-4-methyl-6-tri(propan-2-yl)silyloxyhex-2-yne-1,5-diol
PubChem CID102322037
Molecular FormulaC16H32O3Si
Molecular Weight300.52 g/mol
Exact Mass300.21
IUPAC Name(4S,5R)-4-methyl-6-tri(propan-2-yl)silyloxyhex-2-yne-1,5-diol
SMILESCC(C)[Si](OC[C@H](O)[C@@H](C)C#CCO)(C(C)C)C(C)C
InChIInChI=1S/C16H32O3Si/c1-12(2)20(13(3)4,14(5)6)19-11-16(18)15(7)9-8-10-17/h12-18H,10-11H2,1-7H3/t15-,16-/m0/s1
InChIKeyPGHRFJJMLWAJIA-HOTGVXAUSA-N
XLogP3.17
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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 (4S,5R)-4-methyl-6-tri(propan-2-yl)silyloxyhex-2-yne-1,5-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

1-[Tert-butyl(dimethyl)silyl]oxypent-4-yn-2-ol
CID 87178346
9-[Tert-butyl(dimethyl)silyl]oxy-3-methylundeca-1,5,10-triyn-4-ol
CID 11266709
(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
(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylpent-1-yn-3-ol
CID 11818518
(2S,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-4-yn-2-ol
CID 24881691
(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
7-[2,3-Dimethylbutan-2-yl(dimethyl)silyl]oxycyclododeca-2,8-diyn-1-ol
CID 134884608
(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylpent-1-yn-3-ol
CID 134930879

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-4-methyl-6-tri(propan-2-yl)silyloxyhex-2-yne-1,5-diol?
The IUPAC name of (4S,5R)-4-methyl-6-tri(propan-2-yl)silyloxyhex-2-yne-1,5-diol (CID 102322037) is (4S,5R)-4-methyl-6-tri(propan-2-yl)silyloxyhex-2-yne-1,5-diol.
What is the SMILES notation for (4S,5R)-4-methyl-6-tri(propan-2-yl)silyloxyhex-2-yne-1,5-diol?
The canonical SMILES for (4S,5R)-4-methyl-6-tri(propan-2-yl)silyloxyhex-2-yne-1,5-diol is CC(C)[Si](OC[C@H](O)[C@@H](C)C#CCO)(C(C)C)C(C)C.
What is the InChIKey of (4S,5R)-4-methyl-6-tri(propan-2-yl)silyloxyhex-2-yne-1,5-diol?
The InChIKey is PGHRFJJMLWAJIA-HOTGVXAUSA-N. The full InChI is InChI=1S/C16H32O3Si/c1-12(2)20(13(3)4,14(5)6)19-11-16(18)15(7)9-8-10-17/h12-18H,10-11H2,1-7H3/t15-,16-/m0/s1.
What are the key properties of (4S,5R)-4-methyl-6-tri(propan-2-yl)silyloxyhex-2-yne-1,5-diol?
(4S,5R)-4-methyl-6-tri(propan-2-yl)silyloxyhex-2-yne-1,5-diol has a molecular weight of 300.52 g/mol, XLogP of 3.17, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-4-methyl-6-tri(propan-2-yl)silyloxyhex-2-yne-1,5-diol is sourced from PubChem (CID 102322037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).