(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'}

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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).