(5S,6S)-5-methyl-6-[2-tri(propan-2-yl)silylethynyl]oxan-2-ol

C17H32O2Si — CID 135042865

IUPAC(5S,6S)-5-methyl-6-[2-tri(propan-2-yl)silylethynyl]oxan-2-ol
SMILESCC(C)[Si](C#C[C@H]1OC(O)CC[C@@H]1C)(C(C)C)C(C)C
InChIInChI=1S/C17H32O2Si/c1-12(2)20(13(3)4,14(5)6)11-10-16-15(7)8-9-17(18)19-16/h12-18H,8-9H2,1-7H3/t15-,16+,17?/m0/s1
InChIKeyIZYPXNMKKXDJOG-RTKIROINSA-N
MW296.53 g/mol
LogP4.34
Rot. Bonds3

About (5S,6S)-5-methyl-6-[2-tri(propan-2-yl)silylethynyl]oxan-2-ol

(5S,6S)-5-methyl-6-[2-tri(propan-2-yl)silylethynyl]oxan-2-ol (PubChem CID 135042865) has the molecular formula C17H32O2Si and a molecular weight of 296.53 g/mol. Its IUPAC name is (5S,6S)-5-methyl-6-[2-tri(propan-2-yl)silylethynyl]oxan-2-ol.

Molecular Properties

Compound Name(5S,6S)-5-methyl-6-[2-tri(propan-2-yl)silylethynyl]oxan-2-ol
PubChem CID135042865
Molecular FormulaC17H32O2Si
Molecular Weight296.53 g/mol
Exact Mass296.22
IUPAC Name(5S,6S)-5-methyl-6-[2-tri(propan-2-yl)silylethynyl]oxan-2-ol
SMILESCC(C)[Si](C#C[C@H]1OC(O)CC[C@@H]1C)(C(C)C)C(C)C
InChIInChI=1S/C17H32O2Si/c1-12(2)20(13(3)4,14(5)6)11-10-16-15(7)8-9-17(18)19-16/h12-18H,8-9H2,1-7H3/t15-,16+,17?/m0/s1
InChIKeyIZYPXNMKKXDJOG-RTKIROINSA-N
XLogP4.34
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.53
LogP ≤ 54.34
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 (5S,6S)-5-methyl-6-[2-tri(propan-2-yl)silylethynyl]oxan-2-ol?
The IUPAC name of (5S,6S)-5-methyl-6-[2-tri(propan-2-yl)silylethynyl]oxan-2-ol (CID 135042865) is (5S,6S)-5-methyl-6-[2-tri(propan-2-yl)silylethynyl]oxan-2-ol.
What is the SMILES notation for (5S,6S)-5-methyl-6-[2-tri(propan-2-yl)silylethynyl]oxan-2-ol?
The canonical SMILES for (5S,6S)-5-methyl-6-[2-tri(propan-2-yl)silylethynyl]oxan-2-ol is CC(C)[Si](C#C[C@H]1OC(O)CC[C@@H]1C)(C(C)C)C(C)C.
What is the InChIKey of (5S,6S)-5-methyl-6-[2-tri(propan-2-yl)silylethynyl]oxan-2-ol?
The InChIKey is IZYPXNMKKXDJOG-RTKIROINSA-N. The full InChI is InChI=1S/C17H32O2Si/c1-12(2)20(13(3)4,14(5)6)11-10-16-15(7)8-9-17(18)19-16/h12-18H,8-9H2,1-7H3/t15-,16+,17?/m0/s1.
What are the key properties of (5S,6S)-5-methyl-6-[2-tri(propan-2-yl)silylethynyl]oxan-2-ol?
(5S,6S)-5-methyl-6-[2-tri(propan-2-yl)silylethynyl]oxan-2-ol has a molecular weight of 296.53 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6S)-5-methyl-6-[2-tri(propan-2-yl)silylethynyl]oxan-2-ol is sourced from PubChem (CID 135042865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).