(2R,3S)-3-methyl-5-trimethylsilylpent-4-yn-2-ol

C9H18OSi — CID 14084682

IUPAC(2R,3S)-3-methyl-5-trimethylsilylpent-4-yn-2-ol
SMILESC[C@@H](O)[C@@H](C)C#C[Si](C)(C)C
InChIInChI=1S/C9H18OSi/c1-8(9(2)10)6-7-11(3,4)5/h8-10H,1-5H3/t8-,9+/m0/s1
InChIKeyQREYWZDZPBFOBL-DTWKUNHWSA-N
MW170.33 g/mol
LogP1.88
Rot. Bonds1

About (2R,3S)-3-methyl-5-trimethylsilylpent-4-yn-2-ol

(2R,3S)-3-methyl-5-trimethylsilylpent-4-yn-2-ol (PubChem CID 14084682) has the molecular formula C9H18OSi and a molecular weight of 170.33 g/mol. Its IUPAC name is (2R,3S)-3-methyl-5-trimethylsilylpent-4-yn-2-ol.

Molecular Properties

Compound Name(2R,3S)-3-methyl-5-trimethylsilylpent-4-yn-2-ol
PubChem CID14084682
Molecular FormulaC9H18OSi
Molecular Weight170.33 g/mol
Exact Mass170.11
IUPAC Name(2R,3S)-3-methyl-5-trimethylsilylpent-4-yn-2-ol
SMILESC[C@@H](O)[C@@H](C)C#C[Si](C)(C)C
InChIInChI=1S/C9H18OSi/c1-8(9(2)10)6-7-11(3,4)5/h8-10H,1-5H3/t8-,9+/m0/s1
InChIKeyQREYWZDZPBFOBL-DTWKUNHWSA-N
XLogP1.88
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 ≤ 51.88
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

(2S,3S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-trimethylsilylhex-5-yn-3-ol
CID 101162769
(2R,3R)-2-methyl-5-trimethylsilylpent-4-yne-1,3-diol
CID 130659352
2,2,3-trimethyl-5-trimethylsilylpent-4-yn-1-amine
CID 100943521
(3R)-4-methyl-1-trimethylsilylpent-1-yn-3-ol;4-methyl-1-trimethylsilylpent-1-yn-3-one
CID 159188451
5-trimethylsilylpent-4-yn-2-ol
CID 11073669
(3S)-1-trimethylsilylhept-1-yn-3-ol
CID 12623486
(2R,3R)-3-hydroxy-N-methoxy-N,2-dimethyl-5-trimethylsilylpent-4-ynamide
CID 11817385
(3R,4R)-3-(methoxymethoxy)-6-methyl-1-trimethylsilylhept-1-yn-4-ol
CID 101156032
4-chloro-2-methyl-3-propan-2-yl-6-trimethylsilylhex-5-yn-3-ol
CID 134880592
methyl (3S)-3-propan-2-yl-5-trimethylsilylpent-4-ynoate
CID 10868013
(3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylpent-1-yn-3-ol
CID 102314561
(3R)-1-trimethylsilylhepta-1,6-diyn-3-ol
CID 124706922

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-methyl-5-trimethylsilylpent-4-yn-2-ol?
The IUPAC name of (2R,3S)-3-methyl-5-trimethylsilylpent-4-yn-2-ol (CID 14084682) is (2R,3S)-3-methyl-5-trimethylsilylpent-4-yn-2-ol.
What is the SMILES notation for (2R,3S)-3-methyl-5-trimethylsilylpent-4-yn-2-ol?
The canonical SMILES for (2R,3S)-3-methyl-5-trimethylsilylpent-4-yn-2-ol is C[C@@H](O)[C@@H](C)C#C[Si](C)(C)C.
What is the InChIKey of (2R,3S)-3-methyl-5-trimethylsilylpent-4-yn-2-ol?
The InChIKey is QREYWZDZPBFOBL-DTWKUNHWSA-N. The full InChI is InChI=1S/C9H18OSi/c1-8(9(2)10)6-7-11(3,4)5/h8-10H,1-5H3/t8-,9+/m0/s1.
What are the key properties of (2R,3S)-3-methyl-5-trimethylsilylpent-4-yn-2-ol?
(2R,3S)-3-methyl-5-trimethylsilylpent-4-yn-2-ol has a molecular weight of 170.33 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-methyl-5-trimethylsilylpent-4-yn-2-ol is sourced from PubChem (CID 14084682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).