(E,2S)-2-pent-4-enyl-2-(2-trimethylsilylethynyl)oct-6-en-1-ol

C18H32OSi — CID 53493823

IUPAC(E,2S)-2-pent-4-enyl-2-(2-trimethylsilylethynyl)oct-6-en-1-ol
SMILESC=CCCC[C@](C#C[Si](C)(C)C)(CO)CCC/C=C/C
InChIInChI=1S/C18H32OSi/c1-6-8-10-12-14-18(17-19,13-11-9-7-2)15-16-20(3,4)5/h6-8,19H,2,9-14,17H2,1,3-5H3/b8-6+/t18-/m0/s1
InChIKeyATBGAMKPWOZPOF-IWHGQQBYSA-N
MW292.54 g/mol
LogP4.95
Rot. Bonds9

About (E,2S)-2-pent-4-enyl-2-(2-trimethylsilylethynyl)oct-6-en-1-ol

(E,2S)-2-pent-4-enyl-2-(2-trimethylsilylethynyl)oct-6-en-1-ol (PubChem CID 53493823) has the molecular formula C18H32OSi and a molecular weight of 292.54 g/mol. Its IUPAC name is (E,2S)-2-pent-4-enyl-2-(2-trimethylsilylethynyl)oct-6-en-1-ol.

Molecular Properties

Compound Name(E,2S)-2-pent-4-enyl-2-(2-trimethylsilylethynyl)oct-6-en-1-ol
PubChem CID53493823
Molecular FormulaC18H32OSi
Molecular Weight292.54 g/mol
Exact Mass292.22
IUPAC Name(E,2S)-2-pent-4-enyl-2-(2-trimethylsilylethynyl)oct-6-en-1-ol
SMILESC=CCCC[C@](C#C[Si](C)(C)C)(CO)CCC/C=C/C
InChIInChI=1S/C18H32OSi/c1-6-8-10-12-14-18(17-19,13-11-9-7-2)15-16-20(3,4)5/h6-8,19H,2,9-14,17H2,1,3-5H3/b8-6+/t18-/m0/s1
InChIKeyATBGAMKPWOZPOF-IWHGQQBYSA-N
XLogP4.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.54
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(4R,6S)-3,3,6,10-tetramethyl-1-trimethylsilylundec-9-en-1-yn-4-ol
CID 134967878
3-[(1S,4S)-4-tert-butyl-6-trimethylsilylcyclohex-2-en-1-yl]propan-1-ol
CID 134980037
[(1S,6R)-6-methyl-6-(2-triethylsilylethynyl)cyclohex-2-en-1-yl]methanol
CID 90075414
[(1S,4S,6R)-4,6-dimethyl-6-(2-triethylsilylethynyl)cyclohex-2-en-1-yl]methanol
CID 90075418
2-Methyl-2-propylpentadec-6-en-1-ol
CID 90747198
2-Hept-4-ynyl-2-hex-3-enylpropane-1,3-diol
CID 140075390
4,6,6-Trimethyl-5-(5-trimethylsilylpent-3-ynyl)cyclohex-3-en-1-ol
CID 10755091
2-[(1S,4R)-1-methyl-4-(4-trimethylsilylbut-3-ynyl)cyclopent-2-en-1-yl]ethanol
CID 10901074
(3R)-3-[(1S,4R)-4-ethenyl-1,4-dimethyl-2-(trimethylsilylmethyl)cyclohex-2-en-1-yl]butan-1-ol
CID 42636526
(3R)-3-[(1S,4R)-4-ethenyl-1-methyl-2-(trimethylsilylmethyl)cyclohex-2-en-1-yl]butan-1-ol
CID 101455155

Frequently Asked Questions

What is the IUPAC name of (E,2S)-2-pent-4-enyl-2-(2-trimethylsilylethynyl)oct-6-en-1-ol?
The IUPAC name of (E,2S)-2-pent-4-enyl-2-(2-trimethylsilylethynyl)oct-6-en-1-ol (CID 53493823) is (E,2S)-2-pent-4-enyl-2-(2-trimethylsilylethynyl)oct-6-en-1-ol.
What is the SMILES notation for (E,2S)-2-pent-4-enyl-2-(2-trimethylsilylethynyl)oct-6-en-1-ol?
The canonical SMILES for (E,2S)-2-pent-4-enyl-2-(2-trimethylsilylethynyl)oct-6-en-1-ol is C=CCCC[C@](C#C[Si](C)(C)C)(CO)CCC/C=C/C.
What is the InChIKey of (E,2S)-2-pent-4-enyl-2-(2-trimethylsilylethynyl)oct-6-en-1-ol?
The InChIKey is ATBGAMKPWOZPOF-IWHGQQBYSA-N. The full InChI is InChI=1S/C18H32OSi/c1-6-8-10-12-14-18(17-19,13-11-9-7-2)15-16-20(3,4)5/h6-8,19H,2,9-14,17H2,1,3-5H3/b8-6+/t18-/m0/s1.
What are the key properties of (E,2S)-2-pent-4-enyl-2-(2-trimethylsilylethynyl)oct-6-en-1-ol?
(E,2S)-2-pent-4-enyl-2-(2-trimethylsilylethynyl)oct-6-en-1-ol has a molecular weight of 292.54 g/mol, XLogP of 4.95, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2S)-2-pent-4-enyl-2-(2-trimethylsilylethynyl)oct-6-en-1-ol is sourced from PubChem (CID 53493823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).