(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-5-yn-1-ol

C13H26O2Si — CID 11436454

IUPAC(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-5-yn-1-ol
SMILESC#C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CCO
InChIInChI=1S/C13H26O2Si/c1-8-12(11(2)9-10-14)15-16(6,7)13(3,4)5/h1,11-12,14H,9-10H2,2-7H3/t11-,12+/m0/s1
InChIKeyFIQUZFBIROMRMR-NWDGAFQWSA-N
MW242.43 g/mol
LogP3.03
Rot. Bonds5

About (3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-5-yn-1-ol

(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-5-yn-1-ol (PubChem CID 11436454) has the molecular formula C13H26O2Si and a molecular weight of 242.43 g/mol. Its IUPAC name is (3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-5-yn-1-ol.

Molecular Properties

Compound Name(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-5-yn-1-ol
PubChem CID11436454
Molecular FormulaC13H26O2Si
Molecular Weight242.43 g/mol
Exact Mass242.17
IUPAC Name(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-5-yn-1-ol
SMILESC#C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CCO
InChIInChI=1S/C13H26O2Si/c1-8-12(11(2)9-10-14)15-16(6,7)13(3,4)5/h1,11-12,14H,9-10H2,2-7H3/t11-,12+/m0/s1
InChIKeyFIQUZFBIROMRMR-NWDGAFQWSA-N
XLogP3.03
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 53.03
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'}

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Related Compounds

[(2R,3R,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethynyloxetan-3-yl]methanol
CID 10539032
(2S,3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-5-yn-3-ol
CID 10682541
4-[Tert-butyl(dimethyl)silyl]oxy-2-methylpentan-1-ol
CID 11107222
9-[Tert-butyl(dimethyl)silyl]oxy-3-methylundeca-1,5,10-triyn-4-ol
CID 11266709
(3S,4R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-yn-3-ol
CID 11499711
(2S,3S,4R)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-5-yn-3-ol
CID 11736971
1-[Tert-butyl(dimethyl)silyl]oxydec-5-yn-4-ol
CID 24787557
(2S,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-4-yn-2-ol
CID 24881691
(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylpentan-1-ol
CID 45102972
(2S,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylhex-5-yn-1-ol
CID 134848527
lithium (2S,3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-5-yn-3-ol
CID 134892553
3-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]pent-4-yn-2-ol
CID 135036869

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-5-yn-1-ol?
The IUPAC name of (3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-5-yn-1-ol (CID 11436454) is (3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-5-yn-1-ol.
What is the SMILES notation for (3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-5-yn-1-ol?
The canonical SMILES for (3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-5-yn-1-ol is C#C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CCO.
What is the InChIKey of (3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-5-yn-1-ol?
The InChIKey is FIQUZFBIROMRMR-NWDGAFQWSA-N. The full InChI is InChI=1S/C13H26O2Si/c1-8-12(11(2)9-10-14)15-16(6,7)13(3,4)5/h1,11-12,14H,9-10H2,2-7H3/t11-,12+/m0/s1.
What are the key properties of (3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-5-yn-1-ol?
(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-5-yn-1-ol has a molecular weight of 242.43 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-5-yn-1-ol is sourced from PubChem (CID 11436454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).