(3R)-2,6-dimethyl-6-trimethylsilyloxyhept-4-yn-3-ol

C12H24O2Si — CID 102018812

IUPAC(3R)-2,6-dimethyl-6-trimethylsilyloxyhept-4-yn-3-ol
SMILESCC(C)[C@@H](O)C#CC(C)(C)O[Si](C)(C)C
InChIInChI=1S/C12H24O2Si/c1-10(2)11(13)8-9-12(3,4)14-15(5,6)7/h10-11,13H,1-7H3/t11-/m0/s1
InChIKeyVMHVFBHRLVKNJD-NSHDSACASA-N
MW228.41 g/mol
LogP2.64
Rot. Bonds3

About (3R)-2,6-dimethyl-6-trimethylsilyloxyhept-4-yn-3-ol

(3R)-2,6-dimethyl-6-trimethylsilyloxyhept-4-yn-3-ol (PubChem CID 102018812) has the molecular formula C12H24O2Si and a molecular weight of 228.41 g/mol. Its IUPAC name is (3R)-2,6-dimethyl-6-trimethylsilyloxyhept-4-yn-3-ol.

Molecular Properties

Compound Name(3R)-2,6-dimethyl-6-trimethylsilyloxyhept-4-yn-3-ol
PubChem CID102018812
Molecular FormulaC12H24O2Si
Molecular Weight228.41 g/mol
Exact Mass228.15
IUPAC Name(3R)-2,6-dimethyl-6-trimethylsilyloxyhept-4-yn-3-ol
SMILESCC(C)[C@@H](O)C#CC(C)(C)O[Si](C)(C)C
InChIInChI=1S/C12H24O2Si/c1-10(2)11(13)8-9-12(3,4)14-15(5,6)7/h10-11,13H,1-7H3/t11-/m0/s1
InChIKeyVMHVFBHRLVKNJD-NSHDSACASA-N
XLogP2.64
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.41
LogP ≤ 52.64
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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Related Compounds

3-Methyl-5-(trimethylsilyl)pent-4-yn-2-ol
CID 14084681
2,6-Dimethylhept-3-yne-2,5-diol
CID 85312145
6-[Tert-butyl(dimethyl)silyl]oxyhex-3-yn-2-ol
CID 10561360
1-Pentyn-3-ol, 4-methyl-1-(trimethylsilyl)-
CID 2759520
4-[Tert-butyl(dimethyl)silyl]oxypent-2-yn-1-ol
CID 10680169
(5R)-2,6-dimethylhept-3-yne-2,5-diol
CID 10909819
9-[Tert-butyl(dimethyl)silyl]oxy-3-methylundeca-1,5,10-triyn-4-ol
CID 11266709
(2S,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-4-yn-2-ol
CID 24881691
(2S,3S)-2-methyl-3-tri(propan-2-yl)silyloxyhex-4-yn-1-ol
CID 135017386
(4S)-3-ethyl-7-methyl-7-trimethylsilyloxyoct-5-yn-4-ol
CID 135039763
5-[(Trimethylsilyl)oxy]hex-3-yn-2-ol
CID 14528286
1-[Hydroxy(dimethyl)silyl]hex-4-yn-3-ol
CID 12022384

Frequently Asked Questions

What is the IUPAC name of (3R)-2,6-dimethyl-6-trimethylsilyloxyhept-4-yn-3-ol?
The IUPAC name of (3R)-2,6-dimethyl-6-trimethylsilyloxyhept-4-yn-3-ol (CID 102018812) is (3R)-2,6-dimethyl-6-trimethylsilyloxyhept-4-yn-3-ol.
What is the SMILES notation for (3R)-2,6-dimethyl-6-trimethylsilyloxyhept-4-yn-3-ol?
The canonical SMILES for (3R)-2,6-dimethyl-6-trimethylsilyloxyhept-4-yn-3-ol is CC(C)[C@@H](O)C#CC(C)(C)O[Si](C)(C)C.
What is the InChIKey of (3R)-2,6-dimethyl-6-trimethylsilyloxyhept-4-yn-3-ol?
The InChIKey is VMHVFBHRLVKNJD-NSHDSACASA-N. The full InChI is InChI=1S/C12H24O2Si/c1-10(2)11(13)8-9-12(3,4)14-15(5,6)7/h10-11,13H,1-7H3/t11-/m0/s1.
What are the key properties of (3R)-2,6-dimethyl-6-trimethylsilyloxyhept-4-yn-3-ol?
(3R)-2,6-dimethyl-6-trimethylsilyloxyhept-4-yn-3-ol has a molecular weight of 228.41 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2,6-dimethyl-6-trimethylsilyloxyhept-4-yn-3-ol is sourced from PubChem (CID 102018812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).