(4S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylhex-5-en-2-yne-1,4-diol

C14H26O3Si — CID 102483527

IUPAC(4S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylhex-5-en-2-yne-1,4-diol
SMILESC=C(CO[Si](C)(C)C(C)(C)C)[C@@](C)(O)C#CCO
InChIInChI=1S/C14H26O3Si/c1-12(14(5,16)9-8-10-15)11-17-18(6,7)13(2,3)4/h15-16H,1,10-11H2,2-7H3/t14-/m0/s1
InChIKeyHOIGFBVIBZUDBV-AWEZNQCLSA-N
MW270.44 g/mol
LogP2.31
Rot. Bonds4

About (4S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylhex-5-en-2-yne-1,4-diol

(4S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylhex-5-en-2-yne-1,4-diol (PubChem CID 102483527) has the molecular formula C14H26O3Si and a molecular weight of 270.44 g/mol. Its IUPAC name is (4S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylhex-5-en-2-yne-1,4-diol.

Molecular Properties

Compound Name(4S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylhex-5-en-2-yne-1,4-diol
PubChem CID102483527
Molecular FormulaC14H26O3Si
Molecular Weight270.44 g/mol
Exact Mass270.17
IUPAC Name(4S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylhex-5-en-2-yne-1,4-diol
SMILESC=C(CO[Si](C)(C)C(C)(C)C)[C@@](C)(O)C#CCO
InChIInChI=1S/C14H26O3Si/c1-12(14(5,16)9-8-10-15)11-17-18(6,7)13(2,3)4/h15-16H,1,10-11H2,2-7H3/t14-/m0/s1
InChIKeyHOIGFBVIBZUDBV-AWEZNQCLSA-N
XLogP2.31
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[tert-butyl(dimethyl)silyl]oxy-dimethylsilane;but-2-yne-1,4-diol
CID 86745388
3-[[tert-butyl(dimethyl)silyl]oxymethyl]but-3-en-1-ol
CID 135040003
tert-butyl-[2-(iodomethyl)prop-2-enoxy]-dimethylsilane
CID 11358863
tert-butyl-dimethyl-(2-methylidenebut-3-enoxy)silane
CID 10058581
(4-bromo-4,4-difluorobut-2-ynoxy)-tert-butyl-dimethylsilane;5-[tert-butyl(dimethyl)silyl]oxy-2,2-difluoropent-3-yn-1-ol;4,4-difluoropent-2-yne-1,5-diol
CID 157255641
tert-butyl-dimethyl-[(E)-2-methylidenehex-3-enoxy]silane
CID 11229887
4-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-2-en-1-ol
CID 71340946
(2E)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]penta-2,4-dienal
CID 146163181
tert-butyl-(chloromethoxy)-dimethylsilane
CID 14145745
6-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylocta-2,7-diyn-1-ol
CID 10612795
3-[tert-butyl(dimethyl)silyl]oxy-1,1,2,2,3,3-hexadeuteriopropan-1-ol
CID 71777166
1-[tert-butyl(dimethyl)silyl]oxy-2-methylbut-3-yn-2-ol
CID 11095976

Frequently Asked Questions

What is the IUPAC name of (4S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylhex-5-en-2-yne-1,4-diol?
The IUPAC name of (4S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylhex-5-en-2-yne-1,4-diol (CID 102483527) is (4S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylhex-5-en-2-yne-1,4-diol.
What is the SMILES notation for (4S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylhex-5-en-2-yne-1,4-diol?
The canonical SMILES for (4S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylhex-5-en-2-yne-1,4-diol is C=C(CO[Si](C)(C)C(C)(C)C)[C@@](C)(O)C#CCO.
What is the InChIKey of (4S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylhex-5-en-2-yne-1,4-diol?
The InChIKey is HOIGFBVIBZUDBV-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H26O3Si/c1-12(14(5,16)9-8-10-15)11-17-18(6,7)13(2,3)4/h15-16H,1,10-11H2,2-7H3/t14-/m0/s1.
What are the key properties of (4S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylhex-5-en-2-yne-1,4-diol?
(4S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylhex-5-en-2-yne-1,4-diol has a molecular weight of 270.44 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylhex-5-en-2-yne-1,4-diol is sourced from PubChem (CID 102483527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).