(E)-1-phenyl-6-tri(propan-2-yl)silylhex-1-en-5-yn-3-ol

C21H32OSi — CID 164687145

IUPAC(E)-1-phenyl-6-tri(propan-2-yl)silylhex-1-en-5-yn-3-ol
SMILESCC(C)[Si](C#CCC(O)/C=C/c1ccccc1)(C(C)C)C(C)C
InChIInChI=1S/C21H32OSi/c1-17(2)23(18(3)4,19(5)6)16-10-13-21(22)15-14-20-11-8-7-9-12-20/h7-9,11-12,14-15,17-19,21-22H,13H2,1-6H3/b15-14+
InChIKeyGLASQPRYCRAOMV-CCEZHUSRSA-N
MW328.57 g/mol
LogP5.67
Rot. Bonds6

About (E)-1-phenyl-6-tri(propan-2-yl)silylhex-1-en-5-yn-3-ol

(E)-1-phenyl-6-tri(propan-2-yl)silylhex-1-en-5-yn-3-ol (PubChem CID 164687145) has the molecular formula C21H32OSi and a molecular weight of 328.57 g/mol. Its IUPAC name is (E)-1-phenyl-6-tri(propan-2-yl)silylhex-1-en-5-yn-3-ol.

Molecular Properties

Compound Name(E)-1-phenyl-6-tri(propan-2-yl)silylhex-1-en-5-yn-3-ol
PubChem CID164687145
Molecular FormulaC21H32OSi
Molecular Weight328.57 g/mol
Exact Mass328.22
IUPAC Name(E)-1-phenyl-6-tri(propan-2-yl)silylhex-1-en-5-yn-3-ol
SMILESCC(C)[Si](C#CCC(O)/C=C/c1ccccc1)(C(C)C)C(C)C
InChIInChI=1S/C21H32OSi/c1-17(2)23(18(3)4,19(5)6)16-10-13-21(22)15-14-20-11-8-7-9-12-20/h7-9,11-12,14-15,17-19,21-22H,13H2,1-6H3/b15-14+
InChIKeyGLASQPRYCRAOMV-CCEZHUSRSA-N
XLogP5.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.57
LogP ≤ 55.67
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,3S)-3-hydroxy-5-phenylpent-4-enenitrile
CID 11052128
(E,3R)-1-phenylhex-1-en-5-yn-3-ol
CID 11041183
(E,3S)-1-phenylpent-1-en-3-ol
CID 10654561
(1E,3R,5S,6E)-1,7-diphenylhepta-1,6-diene-3,5-diol
CID 122402908
(Z,2R)-4-phenylbut-3-en-2-ol
CID 11457765
1-amino-4-phenylbut-3-en-2-ol
CID 57176606
3-phenylprop-2-ene-1,1-diol
CID 54432533
trimethyl(2-phenylethenyl)phosphanium
CID 69015838
(E)-2-methyl-5-phenylpent-4-ene-1,3-diol
CID 89050087
(E)-1-[tert-butyl(dimethyl)silyl]oxy-4-phenylbut-3-en-2-ol
CID 11587217
(2Z,5R,6E)-7-phenylhepta-2,6-diene-1,5-diol
CID 71601870
CID 11424718
CID 11424718

Frequently Asked Questions

What is the IUPAC name of (E)-1-phenyl-6-tri(propan-2-yl)silylhex-1-en-5-yn-3-ol?
The IUPAC name of (E)-1-phenyl-6-tri(propan-2-yl)silylhex-1-en-5-yn-3-ol (CID 164687145) is (E)-1-phenyl-6-tri(propan-2-yl)silylhex-1-en-5-yn-3-ol.
What is the SMILES notation for (E)-1-phenyl-6-tri(propan-2-yl)silylhex-1-en-5-yn-3-ol?
The canonical SMILES for (E)-1-phenyl-6-tri(propan-2-yl)silylhex-1-en-5-yn-3-ol is CC(C)[Si](C#CCC(O)/C=C/c1ccccc1)(C(C)C)C(C)C.
What is the InChIKey of (E)-1-phenyl-6-tri(propan-2-yl)silylhex-1-en-5-yn-3-ol?
The InChIKey is GLASQPRYCRAOMV-CCEZHUSRSA-N. The full InChI is InChI=1S/C21H32OSi/c1-17(2)23(18(3)4,19(5)6)16-10-13-21(22)15-14-20-11-8-7-9-12-20/h7-9,11-12,14-15,17-19,21-22H,13H2,1-6H3/b15-14+.
What are the key properties of (E)-1-phenyl-6-tri(propan-2-yl)silylhex-1-en-5-yn-3-ol?
(E)-1-phenyl-6-tri(propan-2-yl)silylhex-1-en-5-yn-3-ol has a molecular weight of 328.57 g/mol, XLogP of 5.67, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-phenyl-6-tri(propan-2-yl)silylhex-1-en-5-yn-3-ol is sourced from PubChem (CID 164687145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).