(4S,5S)-2-methyl-5-trimethylsilyloct-6-yn-4-ol

C12H24OSi — CID 166439538

IUPAC(4S,5S)-2-methyl-5-trimethylsilyloct-6-yn-4-ol
SMILESCC#C[C@@H]([C@@H](O)CC(C)C)[Si](C)(C)C
InChIInChI=1S/C12H24OSi/c1-7-8-12(14(4,5)6)11(13)9-10(2)3/h10-13H,9H2,1-6H3/t11-,12-/m0/s1
InChIKeyBWHUJPQGRFZHQL-RYUDHWBXSA-N
MW212.41 g/mol
LogP3.13
Rot. Bonds4

About (4S,5S)-2-methyl-5-trimethylsilyloct-6-yn-4-ol

(4S,5S)-2-methyl-5-trimethylsilyloct-6-yn-4-ol (PubChem CID 166439538) has the molecular formula C12H24OSi and a molecular weight of 212.41 g/mol. Its IUPAC name is (4S,5S)-2-methyl-5-trimethylsilyloct-6-yn-4-ol.

Molecular Properties

Compound Name(4S,5S)-2-methyl-5-trimethylsilyloct-6-yn-4-ol
PubChem CID166439538
Molecular FormulaC12H24OSi
Molecular Weight212.41 g/mol
Exact Mass212.16
IUPAC Name(4S,5S)-2-methyl-5-trimethylsilyloct-6-yn-4-ol
SMILESCC#C[C@@H]([C@@H](O)CC(C)C)[Si](C)(C)C
InChIInChI=1S/C12H24OSi/c1-7-8-12(14(4,5)6)11(13)9-10(2)3/h10-13H,9H2,1-6H3/t11-,12-/m0/s1
InChIKeyBWHUJPQGRFZHQL-RYUDHWBXSA-N
XLogP3.13
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.41
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-Methyl-5-(trimethylsilyl)pent-4-yn-2-ol
CID 14084681
1-Cyclopropyl-3-(trimethylsilyl)prop-2-yn-1-ol
CID 22180837
1-Pentyn-3-ol, 4-methyl-1-(trimethylsilyl)-
CID 2759520
(S)-1-(trimethylsilyl)hept-1-yn-3-ol
CID 12623485
(2R)-2-methyl-5-trimethylsilylpent-4-yn-1-ol
CID 25107589
(2S)-2-methyl-6-(trimethylsilyl)-5-hexyn-1-ol
CID 49837101
8-Trimethylsilyldodec-6-yn-5-ol
CID 10354989
2-Methyl-2-trimethylsilylnon-3-yn-5-ol
CID 10466273
(3S,4R)-3-methyl-1-trimethylsilyldec-1-yn-4-ol
CID 10657710
(2S,3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-5-yn-3-ol
CID 10682541
9-[Tert-butyl(dimethyl)silyl]oxy-3-methylundeca-1,5,10-triyn-4-ol
CID 11266709
(3S,4R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-yn-3-ol
CID 11499711

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-2-methyl-5-trimethylsilyloct-6-yn-4-ol?
The IUPAC name of (4S,5S)-2-methyl-5-trimethylsilyloct-6-yn-4-ol (CID 166439538) is (4S,5S)-2-methyl-5-trimethylsilyloct-6-yn-4-ol.
What is the SMILES notation for (4S,5S)-2-methyl-5-trimethylsilyloct-6-yn-4-ol?
The canonical SMILES for (4S,5S)-2-methyl-5-trimethylsilyloct-6-yn-4-ol is CC#C[C@@H]([C@@H](O)CC(C)C)[Si](C)(C)C.
What is the InChIKey of (4S,5S)-2-methyl-5-trimethylsilyloct-6-yn-4-ol?
The InChIKey is BWHUJPQGRFZHQL-RYUDHWBXSA-N. The full InChI is InChI=1S/C12H24OSi/c1-7-8-12(14(4,5)6)11(13)9-10(2)3/h10-13H,9H2,1-6H3/t11-,12-/m0/s1.
What are the key properties of (4S,5S)-2-methyl-5-trimethylsilyloct-6-yn-4-ol?
(4S,5S)-2-methyl-5-trimethylsilyloct-6-yn-4-ol has a molecular weight of 212.41 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-2-methyl-5-trimethylsilyloct-6-yn-4-ol is sourced from PubChem (CID 166439538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).