(3S,4R)-3-methyl-1-trimethylsilyldec-1-yn-4-ol

C14H28OSi — CID 10657710

IUPAC(3S,4R)-3-methyl-1-trimethylsilyldec-1-yn-4-ol
SMILESCCCCCC[C@@H](O)[C@@H](C)C#C[Si](C)(C)C
InChIInChI=1S/C14H28OSi/c1-6-7-8-9-10-14(15)13(2)11-12-16(3,4)5/h13-15H,6-10H2,1-5H3/t13-,14+/m0/s1
InChIKeyXYRBVYZTCYHRIF-UONOGXRCSA-N
MW240.46 g/mol
LogP3.83
Rot. Bonds6

About (3S,4R)-3-methyl-1-trimethylsilyldec-1-yn-4-ol

(3S,4R)-3-methyl-1-trimethylsilyldec-1-yn-4-ol (PubChem CID 10657710) has the molecular formula C14H28OSi and a molecular weight of 240.46 g/mol. Its IUPAC name is (3S,4R)-3-methyl-1-trimethylsilyldec-1-yn-4-ol.

Molecular Properties

Compound Name(3S,4R)-3-methyl-1-trimethylsilyldec-1-yn-4-ol
PubChem CID10657710
Molecular FormulaC14H28OSi
Molecular Weight240.46 g/mol
Exact Mass240.19
IUPAC Name(3S,4R)-3-methyl-1-trimethylsilyldec-1-yn-4-ol
SMILESCCCCCC[C@@H](O)[C@@H](C)C#C[Si](C)(C)C
InChIInChI=1S/C14H28OSi/c1-6-7-8-9-10-14(15)13(2)11-12-16(3,4)5/h13-15H,6-10H2,1-5H3/t13-,14+/m0/s1
InChIKeyXYRBVYZTCYHRIF-UONOGXRCSA-N
XLogP3.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.46
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

alpha-(3-(Trimethylsilyl)-2-propyn-1-yl)cyclohexanemethanol
CID 10867955
1-[2-(Trimethylsilylmethyl)cyclopropyl]heptan-1-ol
CID 14214592
(1R)-1-cyclohexyl-3-triethylsilylprop-2-yn-1-ol
CID 10125283
(1S)-1-cyclohexyl-3-trimethylsilylprop-2-yn-1-ol
CID 10536456
1-Decyn-3-ol, 1-(trimethylsilyl)-
CID 10955284
alpha-[2-(Trimethylsilyl)ethynyl]cyclohexanemethanol
CID 14026558
1-(Trimethylsilyl)-3-methyl-1-nonyn-3-ol
CID 15649677
1-Trimethylsilylnon-1-yn-3-ol
CID 15695620
(5S)-1-trimethylsilyldec-1-yn-5-ol
CID 135001882
(1R,2S)-1-cyclohexyl-2-methyl-4-trimethylsilylbut-3-yn-1-ol
CID 10561949
(1R)-1-cyclohexyl-3-trimethylsilylprop-2-yn-1-ol
CID 10846153
1-Dodecyn-4-ol, 1-(trimethylsilyl)-
CID 11322794

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-methyl-1-trimethylsilyldec-1-yn-4-ol?
The IUPAC name of (3S,4R)-3-methyl-1-trimethylsilyldec-1-yn-4-ol (CID 10657710) is (3S,4R)-3-methyl-1-trimethylsilyldec-1-yn-4-ol.
What is the SMILES notation for (3S,4R)-3-methyl-1-trimethylsilyldec-1-yn-4-ol?
The canonical SMILES for (3S,4R)-3-methyl-1-trimethylsilyldec-1-yn-4-ol is CCCCCC[C@@H](O)[C@@H](C)C#C[Si](C)(C)C.
What is the InChIKey of (3S,4R)-3-methyl-1-trimethylsilyldec-1-yn-4-ol?
The InChIKey is XYRBVYZTCYHRIF-UONOGXRCSA-N. The full InChI is InChI=1S/C14H28OSi/c1-6-7-8-9-10-14(15)13(2)11-12-16(3,4)5/h13-15H,6-10H2,1-5H3/t13-,14+/m0/s1.
What are the key properties of (3S,4R)-3-methyl-1-trimethylsilyldec-1-yn-4-ol?
(3S,4R)-3-methyl-1-trimethylsilyldec-1-yn-4-ol has a molecular weight of 240.46 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-methyl-1-trimethylsilyldec-1-yn-4-ol is sourced from PubChem (CID 10657710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).