(4R,6R)-2,5,5-trimethyl-6-[3-tri(propan-2-yl)silylprop-2-ynoxy]oct-7-yn-4-ol

C23H42O2Si — CID 11337931

IUPAC(4R,6R)-2,5,5-trimethyl-6-[3-tri(propan-2-yl)silylprop-2-ynoxy]oct-7-yn-4-ol
SMILESC#C[C@@H](OCC#C[Si](C(C)C)(C(C)C)C(C)C)C(C)(C)[C@H](O)CC(C)C
InChIInChI=1S/C23H42O2Si/c1-12-22(23(10,11)21(24)16-17(2)3)25-14-13-15-26(18(4)5,19(6)7)20(8)9/h1,17-22,24H,14,16H2,2-11H3/t21-,22-/m1/s1
InChIKeyHCLKCCXEZRQFCM-FGZHOGPDSA-N
MW378.67 g/mol
LogP5.66
Rot. Bonds9

About (4R,6R)-2,5,5-trimethyl-6-[3-tri(propan-2-yl)silylprop-2-ynoxy]oct-7-yn-4-ol

(4R,6R)-2,5,5-trimethyl-6-[3-tri(propan-2-yl)silylprop-2-ynoxy]oct-7-yn-4-ol (PubChem CID 11337931) has the molecular formula C23H42O2Si and a molecular weight of 378.67 g/mol. Its IUPAC name is (4R,6R)-2,5,5-trimethyl-6-[3-tri(propan-2-yl)silylprop-2-ynoxy]oct-7-yn-4-ol.

Molecular Properties

Compound Name(4R,6R)-2,5,5-trimethyl-6-[3-tri(propan-2-yl)silylprop-2-ynoxy]oct-7-yn-4-ol
PubChem CID11337931
Molecular FormulaC23H42O2Si
Molecular Weight378.67 g/mol
Exact Mass378.30
IUPAC Name(4R,6R)-2,5,5-trimethyl-6-[3-tri(propan-2-yl)silylprop-2-ynoxy]oct-7-yn-4-ol
SMILESC#C[C@@H](OCC#C[Si](C(C)C)(C(C)C)C(C)C)C(C)(C)[C@H](O)CC(C)C
InChIInChI=1S/C23H42O2Si/c1-12-22(23(10,11)21(24)16-17(2)3)25-14-13-15-26(18(4)5,19(6)7)20(8)9/h1,17-22,24H,14,16H2,2-11H3/t21-,22-/m1/s1
InChIKeyHCLKCCXEZRQFCM-FGZHOGPDSA-N
XLogP5.66
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.67
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (4R,6R)-2,5,5-trimethyl-6-[3-tri(propan-2-yl)silylprop-2-ynoxy]oct-7-yn-4-ol?
The IUPAC name of (4R,6R)-2,5,5-trimethyl-6-[3-tri(propan-2-yl)silylprop-2-ynoxy]oct-7-yn-4-ol (CID 11337931) is (4R,6R)-2,5,5-trimethyl-6-[3-tri(propan-2-yl)silylprop-2-ynoxy]oct-7-yn-4-ol.
What is the SMILES notation for (4R,6R)-2,5,5-trimethyl-6-[3-tri(propan-2-yl)silylprop-2-ynoxy]oct-7-yn-4-ol?
The canonical SMILES for (4R,6R)-2,5,5-trimethyl-6-[3-tri(propan-2-yl)silylprop-2-ynoxy]oct-7-yn-4-ol is C#C[C@@H](OCC#C[Si](C(C)C)(C(C)C)C(C)C)C(C)(C)[C@H](O)CC(C)C.
What is the InChIKey of (4R,6R)-2,5,5-trimethyl-6-[3-tri(propan-2-yl)silylprop-2-ynoxy]oct-7-yn-4-ol?
The InChIKey is HCLKCCXEZRQFCM-FGZHOGPDSA-N. The full InChI is InChI=1S/C23H42O2Si/c1-12-22(23(10,11)21(24)16-17(2)3)25-14-13-15-26(18(4)5,19(6)7)20(8)9/h1,17-22,24H,14,16H2,2-11H3/t21-,22-/m1/s1.
What are the key properties of (4R,6R)-2,5,5-trimethyl-6-[3-tri(propan-2-yl)silylprop-2-ynoxy]oct-7-yn-4-ol?
(4R,6R)-2,5,5-trimethyl-6-[3-tri(propan-2-yl)silylprop-2-ynoxy]oct-7-yn-4-ol has a molecular weight of 378.67 g/mol, XLogP of 5.66, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6R)-2,5,5-trimethyl-6-[3-tri(propan-2-yl)silylprop-2-ynoxy]oct-7-yn-4-ol is sourced from PubChem (CID 11337931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).