(1R)-1-[(3S)-2-methyl-3-[tri(propan-2-yl)silyloxymethyl]oxiran-2-yl]prop-2-yn-1-ol

C16H30O3Si — CID 58510424

IUPAC(1R)-1-[(3S)-2-methyl-3-[tri(propan-2-yl)silyloxymethyl]oxiran-2-yl]prop-2-yn-1-ol
SMILESC#C[C@@H](O)C1(C)O[C@H]1CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C16H30O3Si/c1-9-14(17)16(8)15(19-16)10-18-20(11(2)3,12(4)5)13(6)7/h1,11-15,17H,10H2,2-8H3/t14-,15+,16?/m1/s1
InChIKeyCVEMHRIVBAYBLZ-YSPPHNQVSA-N
MW298.50 g/mol
LogP3.33
Rot. Bonds7

About (1R)-1-[(3S)-2-methyl-3-[tri(propan-2-yl)silyloxymethyl]oxiran-2-yl]prop-2-yn-1-ol

(1R)-1-[(3S)-2-methyl-3-[tri(propan-2-yl)silyloxymethyl]oxiran-2-yl]prop-2-yn-1-ol (PubChem CID 58510424) has the molecular formula C16H30O3Si and a molecular weight of 298.50 g/mol. Its IUPAC name is (1R)-1-[(3S)-2-methyl-3-[tri(propan-2-yl)silyloxymethyl]oxiran-2-yl]prop-2-yn-1-ol.

Molecular Properties

Compound Name(1R)-1-[(3S)-2-methyl-3-[tri(propan-2-yl)silyloxymethyl]oxiran-2-yl]prop-2-yn-1-ol
PubChem CID58510424
Molecular FormulaC16H30O3Si
Molecular Weight298.50 g/mol
Exact Mass298.20
IUPAC Name(1R)-1-[(3S)-2-methyl-3-[tri(propan-2-yl)silyloxymethyl]oxiran-2-yl]prop-2-yn-1-ol
SMILESC#C[C@@H](O)C1(C)O[C@H]1CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C16H30O3Si/c1-9-14(17)16(8)15(19-16)10-18-20(11(2)3,12(4)5)13(6)7/h1,11-15,17H,10H2,2-8H3/t14-,15+,16?/m1/s1
InChIKeyCVEMHRIVBAYBLZ-YSPPHNQVSA-N
XLogP3.33
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.50
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(3S)-2-methyl-3-[tri(propan-2-yl)silyloxymethyl]oxiran-2-yl]prop-2-yn-1-ol?
The IUPAC name of (1R)-1-[(3S)-2-methyl-3-[tri(propan-2-yl)silyloxymethyl]oxiran-2-yl]prop-2-yn-1-ol (CID 58510424) is (1R)-1-[(3S)-2-methyl-3-[tri(propan-2-yl)silyloxymethyl]oxiran-2-yl]prop-2-yn-1-ol.
What is the SMILES notation for (1R)-1-[(3S)-2-methyl-3-[tri(propan-2-yl)silyloxymethyl]oxiran-2-yl]prop-2-yn-1-ol?
The canonical SMILES for (1R)-1-[(3S)-2-methyl-3-[tri(propan-2-yl)silyloxymethyl]oxiran-2-yl]prop-2-yn-1-ol is C#C[C@@H](O)C1(C)O[C@H]1CO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (1R)-1-[(3S)-2-methyl-3-[tri(propan-2-yl)silyloxymethyl]oxiran-2-yl]prop-2-yn-1-ol?
The InChIKey is CVEMHRIVBAYBLZ-YSPPHNQVSA-N. The full InChI is InChI=1S/C16H30O3Si/c1-9-14(17)16(8)15(19-16)10-18-20(11(2)3,12(4)5)13(6)7/h1,11-15,17H,10H2,2-8H3/t14-,15+,16?/m1/s1.
What are the key properties of (1R)-1-[(3S)-2-methyl-3-[tri(propan-2-yl)silyloxymethyl]oxiran-2-yl]prop-2-yn-1-ol?
(1R)-1-[(3S)-2-methyl-3-[tri(propan-2-yl)silyloxymethyl]oxiran-2-yl]prop-2-yn-1-ol has a molecular weight of 298.50 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(3S)-2-methyl-3-[tri(propan-2-yl)silyloxymethyl]oxiran-2-yl]prop-2-yn-1-ol is sourced from PubChem (CID 58510424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).