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

C9H16OSi — CID 11355705

IUPAC(E,2R)-6-trimethylsilylhex-3-en-5-yn-2-ol
SMILESC[C@@H](O)/C=C/C#C[Si](C)(C)C
InChIInChI=1S/C9H16OSi/c1-9(10)7-5-6-8-11(2,3)4/h5,7,9-10H,1-4H3/b7-5+/t9-/m1/s1
InChIKeyNTMWKDKWVVCAIW-VPIOIWJLSA-N
MW168.31 g/mol
LogP1.80
Rot. Bonds1

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

(E,2R)-6-trimethylsilylhex-3-en-5-yn-2-ol (PubChem CID 11355705) has the molecular formula C9H16OSi and a molecular weight of 168.31 g/mol. Its IUPAC name is (E,2R)-6-trimethylsilylhex-3-en-5-yn-2-ol.

Molecular Properties

Compound Name(E,2R)-6-trimethylsilylhex-3-en-5-yn-2-ol
PubChem CID11355705
Molecular FormulaC9H16OSi
Molecular Weight168.31 g/mol
Exact Mass168.10
IUPAC Name(E,2R)-6-trimethylsilylhex-3-en-5-yn-2-ol
SMILESC[C@@H](O)/C=C/C#C[Si](C)(C)C
InChIInChI=1S/C9H16OSi/c1-9(10)7-5-6-8-11(2,3)4/h5,7,9-10H,1-4H3/b7-5+/t9-/m1/s1
InChIKeyNTMWKDKWVVCAIW-VPIOIWJLSA-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

5-(Trimethylsilyl)pent-1-en-4-yn-3-ol
CID 19917033
(E)-5-tri(propan-2-yl)silylpent-2-en-4-yn-1-ol
CID 42645208
(E)-3-fluoro-1-tri(propan-2-yl)silylhept-5-en-1-yn-4-ol
CID 10517217
(E,4S)-4-[tert-butyl(dimethyl)silyl]oxypent-2-en-1-ol
CID 12194985
(Z,4S)-4-[tert-butyl(dimethyl)silyl]oxypent-2-en-1-ol
CID 10488936
(Z)-8-trimethylsilyloct-5-en-7-yn-4-ol
CID 10797972
(5E)-3-trimethylsilylhepta-1,2,5-trien-4-ol
CID 11137773
(1E,5E)-1-trimethylsilylhepta-1,5-dien-4-ol
CID 12715341
(Z,2R)-3-trimethylsilyloct-3-en-2-ol
CID 12846918
(1E,4E)-4-methyl-1-trimethylsilylhexa-1,4-dien-3-ol
CID 12935881
(5E)-3-trimethylsilylhepta-1,5-dien-4-ol
CID 13039868
(E)-1-trimethylsilylhept-5-en-1-yn-4-ol
CID 13357612

Frequently Asked Questions

What is the IUPAC name of (E,2R)-6-trimethylsilylhex-3-en-5-yn-2-ol?
The IUPAC name of (E,2R)-6-trimethylsilylhex-3-en-5-yn-2-ol (CID 11355705) is (E,2R)-6-trimethylsilylhex-3-en-5-yn-2-ol.
What is the SMILES notation for (E,2R)-6-trimethylsilylhex-3-en-5-yn-2-ol?
The canonical SMILES for (E,2R)-6-trimethylsilylhex-3-en-5-yn-2-ol is C[C@@H](O)/C=C/C#C[Si](C)(C)C.
What is the InChIKey of (E,2R)-6-trimethylsilylhex-3-en-5-yn-2-ol?
The InChIKey is NTMWKDKWVVCAIW-VPIOIWJLSA-N. The full InChI is InChI=1S/C9H16OSi/c1-9(10)7-5-6-8-11(2,3)4/h5,7,9-10H,1-4H3/b7-5+/t9-/m1/s1.
What are the key properties of (E,2R)-6-trimethylsilylhex-3-en-5-yn-2-ol?
(E,2R)-6-trimethylsilylhex-3-en-5-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,2R)-6-trimethylsilylhex-3-en-5-yn-2-ol is sourced from PubChem (CID 11355705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).