(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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-1,5-bis(trimethylsilyl)hept-5-en-1-yn-3-ol
CID 15867171
(Z)-1,5-bis(trimethylsilyl)dec-5-en-1-yn-3-ol
CID 134931746
(3S)-1-trimethylsilylhept-1-yn-3-ol
CID 12623486
(3R)-1-trimethylsilylpentadec-1-yn-3-ol
CID 10946406
(3S)-1-trimethylsilylpentadec-1-yn-3-ol
CID 11449349
(E,3R)-1-trimethylsilyldocos-13-en-1-yn-3-ol
CID 102332031
(3S)-1-trimethylsilyloct-7-en-1-yn-3-ol
CID 102063168
(3R)-1-trimethylsilylhepta-1,6-diyn-3-ol
CID 124706922
(3S)-1-trimethylsilyldocosa-1,13-diyn-3-ol
CID 102332029
ethyl (2E,6E)-9-hydroxy-4,4,7-trimethyl-11-trimethylsilylundeca-2,6-dien-10-ynoate
CID 11209905
1-trimethylsilylnona-1,7-diyn-3-ol
CID 121009157
(3S,4S)-1-trimethylsilylhept-6-en-1-yne-3,4-diol
CID 102124553

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).