(3S,4S)-4-triethylsilyloxy-1-trimethylsilylpent-1-yn-3-ol

C14H30O2Si2 — CID 134992909

IUPAC(3S,4S)-4-triethylsilyloxy-1-trimethylsilylpent-1-yn-3-ol
SMILESCC[Si](CC)(CC)O[C@@H](C)[C@@H](O)C#C[Si](C)(C)C
InChIInChI=1S/C14H30O2Si2/c1-8-18(9-2,10-3)16-13(4)14(15)11-12-17(5,6)7/h13-15H,8-10H2,1-7H3/t13-,14-/m0/s1
InChIKeyJYOHGOSXDHLULI-KBPBESRZSA-N
MW286.56 g/mol
LogP3.64
Rot. Bonds6

About (3S,4S)-4-triethylsilyloxy-1-trimethylsilylpent-1-yn-3-ol

(3S,4S)-4-triethylsilyloxy-1-trimethylsilylpent-1-yn-3-ol (PubChem CID 134992909) has the molecular formula C14H30O2Si2 and a molecular weight of 286.56 g/mol. Its IUPAC name is (3S,4S)-4-triethylsilyloxy-1-trimethylsilylpent-1-yn-3-ol.

Molecular Properties

Compound Name(3S,4S)-4-triethylsilyloxy-1-trimethylsilylpent-1-yn-3-ol
PubChem CID134992909
Molecular FormulaC14H30O2Si2
Molecular Weight286.56 g/mol
Exact Mass286.18
IUPAC Name(3S,4S)-4-triethylsilyloxy-1-trimethylsilylpent-1-yn-3-ol
SMILESCC[Si](CC)(CC)O[C@@H](C)[C@@H](O)C#C[Si](C)(C)C
InChIInChI=1S/C14H30O2Si2/c1-8-18(9-2,10-3)16-13(4)14(15)11-12-17(5,6)7/h13-15H,8-10H2,1-7H3/t13-,14-/m0/s1
InChIKeyJYOHGOSXDHLULI-KBPBESRZSA-N
XLogP3.64
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.56
LogP ≤ 53.64
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'}

Analyze (3S,4S)-4-triethylsilyloxy-1-trimethylsilylpent-1-yn-3-ol with MolForge

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Related Compounds

1-[(Tert-butyldimethylsilyl)oxy]but-3-yn-2-ol
CID 15261877
1-Trimethylsilylpent-1-yn-3-ol
CID 357809
5-Trimethylsilylpent-4-yn-2-ol
CID 11073669
2-([tert-Butyl(dimethyl)silyl]oxy)propan-1-ol
CID 15688070
6-[Tert-butyl(dimethyl)silyl]oxyhex-3-yn-2-ol
CID 10561360
bis-O-(trimethylsilyl)glycerol
CID 129820405
6-[Tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylhexa-1,4-diyn-3-ol
CID 134970975
(S)-2-(tert-Butyl-dimethyl-silanyloxy)-propan-1-ol
CID 15688069
(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxybutan-2-ol
CID 58012744
1-[Tert-butyl(dimethyl)silyl]oxypent-4-yn-2-ol
CID 87178346
5-[Tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylpent-1-yn-3-ol
CID 87256832
1,3-Heptadiyn-6-ol, 1-trimethylsilyl-
CID 552979

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-triethylsilyloxy-1-trimethylsilylpent-1-yn-3-ol?
The IUPAC name of (3S,4S)-4-triethylsilyloxy-1-trimethylsilylpent-1-yn-3-ol (CID 134992909) is (3S,4S)-4-triethylsilyloxy-1-trimethylsilylpent-1-yn-3-ol.
What is the SMILES notation for (3S,4S)-4-triethylsilyloxy-1-trimethylsilylpent-1-yn-3-ol?
The canonical SMILES for (3S,4S)-4-triethylsilyloxy-1-trimethylsilylpent-1-yn-3-ol is CC[Si](CC)(CC)O[C@@H](C)[C@@H](O)C#C[Si](C)(C)C.
What is the InChIKey of (3S,4S)-4-triethylsilyloxy-1-trimethylsilylpent-1-yn-3-ol?
The InChIKey is JYOHGOSXDHLULI-KBPBESRZSA-N. The full InChI is InChI=1S/C14H30O2Si2/c1-8-18(9-2,10-3)16-13(4)14(15)11-12-17(5,6)7/h13-15H,8-10H2,1-7H3/t13-,14-/m0/s1.
What are the key properties of (3S,4S)-4-triethylsilyloxy-1-trimethylsilylpent-1-yn-3-ol?
(3S,4S)-4-triethylsilyloxy-1-trimethylsilylpent-1-yn-3-ol has a molecular weight of 286.56 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-triethylsilyloxy-1-trimethylsilylpent-1-yn-3-ol is sourced from PubChem (CID 134992909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).