(E)-5-triethylsilyl-1-trimethylsilylhept-5-en-1-yn-3-ol

C16H32OSi2 — CID 100986302

IUPAC(E)-5-triethylsilyl-1-trimethylsilylhept-5-en-1-yn-3-ol
SMILESC/C=C(\CC(O)C#C[Si](C)(C)C)[Si](CC)(CC)CC
InChIInChI=1S/C16H32OSi2/c1-8-16(19(9-2,10-3)11-4)14-15(17)12-13-18(5,6)7/h8,15,17H,9-11,14H2,1-7H3/b16-8+
InChIKeyFFYDRNYNSRYDJC-LZYBPNLTSA-N
MW296.60 g/mol
LogP4.61
Rot. Bonds6

About (E)-5-triethylsilyl-1-trimethylsilylhept-5-en-1-yn-3-ol

(E)-5-triethylsilyl-1-trimethylsilylhept-5-en-1-yn-3-ol (PubChem CID 100986302) has the molecular formula C16H32OSi2 and a molecular weight of 296.60 g/mol. Its IUPAC name is (E)-5-triethylsilyl-1-trimethylsilylhept-5-en-1-yn-3-ol.

Molecular Properties

Compound Name(E)-5-triethylsilyl-1-trimethylsilylhept-5-en-1-yn-3-ol
PubChem CID100986302
Molecular FormulaC16H32OSi2
Molecular Weight296.60 g/mol
Exact Mass296.20
IUPAC Name(E)-5-triethylsilyl-1-trimethylsilylhept-5-en-1-yn-3-ol
SMILESC/C=C(\CC(O)C#C[Si](C)(C)C)[Si](CC)(CC)CC
InChIInChI=1S/C16H32OSi2/c1-8-16(19(9-2,10-3)11-4)14-15(17)12-13-18(5,6)7/h8,15,17H,9-11,14H2,1-7H3/b16-8+
InChIKeyFFYDRNYNSRYDJC-LZYBPNLTSA-N
XLogP4.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.60
LogP ≤ 54.61
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'}

Analyze (E)-5-triethylsilyl-1-trimethylsilylhept-5-en-1-yn-3-ol with MolForge

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Related Compounds

(Z)-5,8-bis(trimethylsilyl)oct-4-en-7-yn-1-ol
CID 11288655
(Z,5S)-1-tri(propan-2-yl)silylnon-7-en-1-yn-5-ol
CID 42636689
(2E,6S,8Z,11Z)-1-[tert-butyl(dimethyl)silyl]oxytetradeca-2,8,11-trien-4-yn-6-ol
CID 102518304
(6Z,10Z)-7,11,15-trimethyl-1-trimethylsilylhexadeca-6,10,14-trien-1-yn-3-ol
CID 134880944
(Z)-1,5-bis(trimethylsilyl)dec-5-en-1-yn-3-ol
CID 134931746
(3E,7Z,10Z)-1-trimethylsilyltrideca-3,7,10-trien-1-yn-5-ol
CID 138981859
(E,4R)-7,7-dimethyl-9-triethylsilyl-1-trimethylsilylnon-5-en-1,8-diyn-4-ol
CID 155929750
(7z,11z)-1,18-Bis(trimethylsilyl)octadeca-7,11-diene1,17-diyne-3,16-diol
CID 168011472
(Z,3R)-1-trimethylsilyloct-5-en-1-yn-3-ol
CID 46183304
(Z)-5-trimethylsilylhex-4-en-2-ol
CID 133627873
3-Hydroxy-1-trimethylsilyl-undec-5Z-ene-1-yne
CID 14503942
1-Trimethylsilylundec-5-en-1-yn-3-ol
CID 53687724

Frequently Asked Questions

What is the IUPAC name of (E)-5-triethylsilyl-1-trimethylsilylhept-5-en-1-yn-3-ol?
The IUPAC name of (E)-5-triethylsilyl-1-trimethylsilylhept-5-en-1-yn-3-ol (CID 100986302) is (E)-5-triethylsilyl-1-trimethylsilylhept-5-en-1-yn-3-ol.
What is the SMILES notation for (E)-5-triethylsilyl-1-trimethylsilylhept-5-en-1-yn-3-ol?
The canonical SMILES for (E)-5-triethylsilyl-1-trimethylsilylhept-5-en-1-yn-3-ol is C/C=C(\CC(O)C#C[Si](C)(C)C)[Si](CC)(CC)CC.
What is the InChIKey of (E)-5-triethylsilyl-1-trimethylsilylhept-5-en-1-yn-3-ol?
The InChIKey is FFYDRNYNSRYDJC-LZYBPNLTSA-N. The full InChI is InChI=1S/C16H32OSi2/c1-8-16(19(9-2,10-3)11-4)14-15(17)12-13-18(5,6)7/h8,15,17H,9-11,14H2,1-7H3/b16-8+.
What are the key properties of (E)-5-triethylsilyl-1-trimethylsilylhept-5-en-1-yn-3-ol?
(E)-5-triethylsilyl-1-trimethylsilylhept-5-en-1-yn-3-ol has a molecular weight of 296.60 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-triethylsilyl-1-trimethylsilylhept-5-en-1-yn-3-ol is sourced from PubChem (CID 100986302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).