(3R)-3-methyl-1-trimethylsilylpent-1-yn-3-ol

C9H18OSi — CID 12630624

IUPAC(3R)-3-methyl-1-trimethylsilylpent-1-yn-3-ol
SMILESCC[C@@](C)(O)C#C[Si](C)(C)C
InChIInChI=1S/C9H18OSi/c1-6-9(2,10)7-8-11(3,4)5/h10H,6H2,1-5H3/t9-/m1/s1
InChIKeyKXYPNINOOGTQST-SECBINFHSA-N
MW170.33 g/mol
LogP2.03
Rot. Bonds1

About (3R)-3-methyl-1-trimethylsilylpent-1-yn-3-ol

(3R)-3-methyl-1-trimethylsilylpent-1-yn-3-ol (PubChem CID 12630624) has the molecular formula C9H18OSi and a molecular weight of 170.33 g/mol. Its IUPAC name is (3R)-3-methyl-1-trimethylsilylpent-1-yn-3-ol.

Molecular Properties

Compound Name(3R)-3-methyl-1-trimethylsilylpent-1-yn-3-ol
PubChem CID12630624
Molecular FormulaC9H18OSi
Molecular Weight170.33 g/mol
Exact Mass170.11
IUPAC Name(3R)-3-methyl-1-trimethylsilylpent-1-yn-3-ol
SMILESCC[C@@](C)(O)C#C[Si](C)(C)C
InChIInChI=1S/C9H18OSi/c1-6-9(2,10)7-8-11(3,4)5/h10H,6H2,1-5H3/t9-/m1/s1
InChIKeyKXYPNINOOGTQST-SECBINFHSA-N
XLogP2.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.33
LogP ≤ 52.03
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

3,6,6-trimethylhept-4-yn-3-ol
CID 59856304
(3S)-3,4,4-trimethyl-1-trimethylsilylpent-1-yn-3-ol
CID 11401366
(4R)-4-methylhex-2-yne-1,4-diol
CID 98399513
(2R)-1,1,1-trifluoro-2-methyl-4-trimethylsilylbut-3-yn-2-ol
CID 124635877
2,6-dimethyloct-4-yne-2,6-diol
CID 71333785
(3-chloro-3-methylbut-1-ynyl)-trimethylsilane;2-methyl-4-trimethylsilylbut-3-yn-2-ol
CID 159934607
3-methylnon-4-yn-3-ol
CID 71352867
trimethyl-(2-methyl-4-trimethylsilylbut-3-yn-2-yl)silane
CID 552884
6-methyloct-4-yne-1,6-diol
CID 71443572
(4S)-3,3-dimethyl-1-trimethylsilyloct-1-yn-4-ol
CID 129405345
1-chloro-3-ethylpent-1-yn-3-ol
CID 24092
(2S,3R)-2-methyl-2-(2-trimethylsilylethynyl)butane-1,3-diol
CID 11827016

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-1-trimethylsilylpent-1-yn-3-ol?
The IUPAC name of (3R)-3-methyl-1-trimethylsilylpent-1-yn-3-ol (CID 12630624) is (3R)-3-methyl-1-trimethylsilylpent-1-yn-3-ol.
What is the SMILES notation for (3R)-3-methyl-1-trimethylsilylpent-1-yn-3-ol?
The canonical SMILES for (3R)-3-methyl-1-trimethylsilylpent-1-yn-3-ol is CC[C@@](C)(O)C#C[Si](C)(C)C.
What is the InChIKey of (3R)-3-methyl-1-trimethylsilylpent-1-yn-3-ol?
The InChIKey is KXYPNINOOGTQST-SECBINFHSA-N. The full InChI is InChI=1S/C9H18OSi/c1-6-9(2,10)7-8-11(3,4)5/h10H,6H2,1-5H3/t9-/m1/s1.
What are the key properties of (3R)-3-methyl-1-trimethylsilylpent-1-yn-3-ol?
(3R)-3-methyl-1-trimethylsilylpent-1-yn-3-ol has a molecular weight of 170.33 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-1-trimethylsilylpent-1-yn-3-ol is sourced from PubChem (CID 12630624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).