(2R,4R)-2,4-dimethyl-7-trimethylsilylhept-6-yne-1,4-diol

C12H24O2Si — CID 102227332

IUPAC(2R,4R)-2,4-dimethyl-7-trimethylsilylhept-6-yne-1,4-diol
SMILESC[C@@H](CO)C[C@@](C)(O)CC#C[Si](C)(C)C
InChIInChI=1S/C12H24O2Si/c1-11(10-13)9-12(2,14)7-6-8-15(3,4)5/h11,13-14H,7,9-10H2,1-5H3/t11-,12+/m1/s1
InChIKeyOKPDIVXPSWWOHI-NEPJUHHUSA-N
MW228.41 g/mol
LogP2.03
Rot. Bonds4

About (2R,4R)-2,4-dimethyl-7-trimethylsilylhept-6-yne-1,4-diol

(2R,4R)-2,4-dimethyl-7-trimethylsilylhept-6-yne-1,4-diol (PubChem CID 102227332) has the molecular formula C12H24O2Si and a molecular weight of 228.41 g/mol. Its IUPAC name is (2R,4R)-2,4-dimethyl-7-trimethylsilylhept-6-yne-1,4-diol.

Molecular Properties

Compound Name(2R,4R)-2,4-dimethyl-7-trimethylsilylhept-6-yne-1,4-diol
PubChem CID102227332
Molecular FormulaC12H24O2Si
Molecular Weight228.41 g/mol
Exact Mass228.15
IUPAC Name(2R,4R)-2,4-dimethyl-7-trimethylsilylhept-6-yne-1,4-diol
SMILESC[C@@H](CO)C[C@@](C)(O)CC#C[Si](C)(C)C
InChIInChI=1S/C12H24O2Si/c1-11(10-13)9-12(2,14)7-6-8-15(3,4)5/h11,13-14H,7,9-10H2,1-5H3/t11-,12+/m1/s1
InChIKeyOKPDIVXPSWWOHI-NEPJUHHUSA-N
XLogP2.03
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.41
LogP ≤ 52.03
H-Bond Donors ≤ 52
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

6,8-dimethylnonane-1,1,6,9-tetrol
CID 57279896
3-(1,3-dioxolan-2-yl)-2,4,4-trimethyl-7-trimethylsilylhept-6-yn-3-ol
CID 90280758
(2R)-2-phenyl-5-trimethylsilylpent-4-yn-2-ol
CID 134964720
5-trimethylsilylpent-4-yn-2-ol
CID 11073669
2,4,6,8-tetramethyldecane-1,8-diol
CID 87893087
4,4-difluoro-1,7-bis(trimethylsilyl)-3-(2-trimethylsilylethynyl)hepta-1,6-diyn-3-ol
CID 54590419
2-methyl-7-trimethylsilylhept-4-en-6-yn-1-ol
CID 54245932
1-deuterio-3-trimethylsilylprop-2-yn-1-ol
CID 170672401
1,1-dideuterio-3-trimethylsilylprop-2-yn-1-ol
CID 170699958
5,5,5-trifluoro-2-methyl-4-(trifluoromethyl)pentane-1,4-diol
CID 25179063
(2S,3R)-2-methyl-2-(2-trimethylsilylethynyl)butane-1,3-diol
CID 11827016
5-hydroxy-2,2,4-trimethylpentanal
CID 91088548

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-2,4-dimethyl-7-trimethylsilylhept-6-yne-1,4-diol?
The IUPAC name of (2R,4R)-2,4-dimethyl-7-trimethylsilylhept-6-yne-1,4-diol (CID 102227332) is (2R,4R)-2,4-dimethyl-7-trimethylsilylhept-6-yne-1,4-diol.
What is the SMILES notation for (2R,4R)-2,4-dimethyl-7-trimethylsilylhept-6-yne-1,4-diol?
The canonical SMILES for (2R,4R)-2,4-dimethyl-7-trimethylsilylhept-6-yne-1,4-diol is C[C@@H](CO)C[C@@](C)(O)CC#C[Si](C)(C)C.
What is the InChIKey of (2R,4R)-2,4-dimethyl-7-trimethylsilylhept-6-yne-1,4-diol?
The InChIKey is OKPDIVXPSWWOHI-NEPJUHHUSA-N. The full InChI is InChI=1S/C12H24O2Si/c1-11(10-13)9-12(2,14)7-6-8-15(3,4)5/h11,13-14H,7,9-10H2,1-5H3/t11-,12+/m1/s1.
What are the key properties of (2R,4R)-2,4-dimethyl-7-trimethylsilylhept-6-yne-1,4-diol?
(2R,4R)-2,4-dimethyl-7-trimethylsilylhept-6-yne-1,4-diol has a molecular weight of 228.41 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2,4-dimethyl-7-trimethylsilylhept-6-yne-1,4-diol is sourced from PubChem (CID 102227332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).