(E,2S)-6-[tert-butyl(dimethyl)silyl]-3-ethynylhex-3-en-5-yne-1,2-diol

C14H22O2Si — CID 10868727

IUPAC(E,2S)-6-[tert-butyl(dimethyl)silyl]-3-ethynylhex-3-en-5-yne-1,2-diol
SMILESC#C/C(=C\C#C[Si](C)(C)C(C)(C)C)[C@H](O)CO
InChIInChI=1S/C14H22O2Si/c1-7-12(13(16)11-15)9-8-10-17(5,6)14(2,3)4/h1,9,13,15-16H,11H2,2-6H3/b12-9+/t13-/m1/s1
InChIKeyUWNNDKSCGUJCMX-CNELAYHGSA-N
MW250.41 g/mol
LogP1.95
Rot. Bonds2

About (E,2S)-6-[tert-butyl(dimethyl)silyl]-3-ethynylhex-3-en-5-yne-1,2-diol

(E,2S)-6-[tert-butyl(dimethyl)silyl]-3-ethynylhex-3-en-5-yne-1,2-diol (PubChem CID 10868727) has the molecular formula C14H22O2Si and a molecular weight of 250.41 g/mol. Its IUPAC name is (E,2S)-6-[tert-butyl(dimethyl)silyl]-3-ethynylhex-3-en-5-yne-1,2-diol.

Molecular Properties

Compound Name(E,2S)-6-[tert-butyl(dimethyl)silyl]-3-ethynylhex-3-en-5-yne-1,2-diol
PubChem CID10868727
Molecular FormulaC14H22O2Si
Molecular Weight250.41 g/mol
Exact Mass250.14
IUPAC Name(E,2S)-6-[tert-butyl(dimethyl)silyl]-3-ethynylhex-3-en-5-yne-1,2-diol
SMILESC#C/C(=C\C#C[Si](C)(C)C(C)(C)C)[C@H](O)CO
InChIInChI=1S/C14H22O2Si/c1-7-12(13(16)11-15)9-8-10-17(5,6)14(2,3)4/h1,9,13,15-16H,11H2,2-6H3/b12-9+/t13-/m1/s1
InChIKeyUWNNDKSCGUJCMX-CNELAYHGSA-N
XLogP1.95
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 51.95
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of (E,2S)-6-[tert-butyl(dimethyl)silyl]-3-ethynylhex-3-en-5-yne-1,2-diol?
The IUPAC name of (E,2S)-6-[tert-butyl(dimethyl)silyl]-3-ethynylhex-3-en-5-yne-1,2-diol (CID 10868727) is (E,2S)-6-[tert-butyl(dimethyl)silyl]-3-ethynylhex-3-en-5-yne-1,2-diol.
What is the SMILES notation for (E,2S)-6-[tert-butyl(dimethyl)silyl]-3-ethynylhex-3-en-5-yne-1,2-diol?
The canonical SMILES for (E,2S)-6-[tert-butyl(dimethyl)silyl]-3-ethynylhex-3-en-5-yne-1,2-diol is C#C/C(=C\C#C[Si](C)(C)C(C)(C)C)[C@H](O)CO.
What is the InChIKey of (E,2S)-6-[tert-butyl(dimethyl)silyl]-3-ethynylhex-3-en-5-yne-1,2-diol?
The InChIKey is UWNNDKSCGUJCMX-CNELAYHGSA-N. The full InChI is InChI=1S/C14H22O2Si/c1-7-12(13(16)11-15)9-8-10-17(5,6)14(2,3)4/h1,9,13,15-16H,11H2,2-6H3/b12-9+/t13-/m1/s1.
What are the key properties of (E,2S)-6-[tert-butyl(dimethyl)silyl]-3-ethynylhex-3-en-5-yne-1,2-diol?
(E,2S)-6-[tert-butyl(dimethyl)silyl]-3-ethynylhex-3-en-5-yne-1,2-diol has a molecular weight of 250.41 g/mol, XLogP of 1.95, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2S)-6-[tert-butyl(dimethyl)silyl]-3-ethynylhex-3-en-5-yne-1,2-diol is sourced from PubChem (CID 10868727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).