(E)-6-trimethylsilylhex-5-en-3-yn-2-ol

C9H16OSi — CID 14742097

IUPAC(E)-6-trimethylsilylhex-5-en-3-yn-2-ol
SMILESCC(O)C#C/C=C/[Si](C)(C)C
InChIInChI=1S/C9H16OSi/c1-9(10)7-5-6-8-11(2,3)4/h6,8-10H,1-4H3/b8-6+
InChIKeyYGGBHTRGPSEHFX-SOFGYWHQSA-N
MW168.31 g/mol
LogP1.80
Rot. Bonds1

About (E)-6-trimethylsilylhex-5-en-3-yn-2-ol

(E)-6-trimethylsilylhex-5-en-3-yn-2-ol (PubChem CID 14742097) has the molecular formula C9H16OSi and a molecular weight of 168.31 g/mol. Its IUPAC name is (E)-6-trimethylsilylhex-5-en-3-yn-2-ol.

Molecular Properties

Compound Name(E)-6-trimethylsilylhex-5-en-3-yn-2-ol
PubChem CID14742097
Molecular FormulaC9H16OSi
Molecular Weight168.31 g/mol
Exact Mass168.10
IUPAC Name(E)-6-trimethylsilylhex-5-en-3-yn-2-ol
SMILESCC(O)C#C/C=C/[Si](C)(C)C
InChIInChI=1S/C9H16OSi/c1-9(10)7-5-6-8-11(2,3)4/h6,8-10H,1-4H3/b8-6+
InChIKeyYGGBHTRGPSEHFX-SOFGYWHQSA-N
XLogP1.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.31
LogP ≤ 51.80
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

(E)-5-trimethylsilylpent-4-en-2-yn-1-ol
CID 15663756
4-(Triethylsilyl)-3-butyn-2-ol
CID 24967368
1-Tri(propan-2-yl)silylhex-5-en-1-yn-3-ol
CID 10515006
3-Butyn-2-ol, 4-[tris(1-methylethyl)silyl]-, (2R)-
CID 11075131
(3S)-1-tri(propan-2-yl)silylhex-5-en-1-yn-3-ol
CID 11230515
1-Trimethylsilylhex-5-en-1-yn-3-ol
CID 11263728
(3R)-1-(Trimethylsilyl)-5-hexen-1-yn-3-ol
CID 11389632
(2S)-4-tri(propan-2-yl)silylbut-3-yn-2-ol
CID 11701366
5-(Trimethylsilyl)pent-3-yn-2-ol
CID 13612047
(3R)-1-tri(propan-2-yl)silylhex-5-en-1-yn-3-ol
CID 44556749
(2R)-6-tri(propan-2-yl)silylhexa-3,5-diyn-2-ol
CID 102451588
(3S)-1-trimethylsilylhex-5-en-1-yn-3-ol
CID 11412607

Frequently Asked Questions

What is the IUPAC name of (E)-6-trimethylsilylhex-5-en-3-yn-2-ol?
The IUPAC name of (E)-6-trimethylsilylhex-5-en-3-yn-2-ol (CID 14742097) is (E)-6-trimethylsilylhex-5-en-3-yn-2-ol.
What is the SMILES notation for (E)-6-trimethylsilylhex-5-en-3-yn-2-ol?
The canonical SMILES for (E)-6-trimethylsilylhex-5-en-3-yn-2-ol is CC(O)C#C/C=C/[Si](C)(C)C.
What is the InChIKey of (E)-6-trimethylsilylhex-5-en-3-yn-2-ol?
The InChIKey is YGGBHTRGPSEHFX-SOFGYWHQSA-N. The full InChI is InChI=1S/C9H16OSi/c1-9(10)7-5-6-8-11(2,3)4/h6,8-10H,1-4H3/b8-6+.
What are the key properties of (E)-6-trimethylsilylhex-5-en-3-yn-2-ol?
(E)-6-trimethylsilylhex-5-en-3-yn-2-ol has a molecular weight of 168.31 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-trimethylsilylhex-5-en-3-yn-2-ol is sourced from PubChem (CID 14742097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).