[(2S,5S)-5-(2-phenylethyl)hept-6-en-3-yn-2-yl]oxy-tri(propan-2-yl)silane

C24H38OSi — CID 135061213

IUPAC[(2S,5S)-5-(2-phenylethyl)hept-6-en-3-yn-2-yl]oxy-tri(propan-2-yl)silane
SMILESC=C[C@@H](C#C[C@H](C)O[Si](C(C)C)(C(C)C)C(C)C)CCc1ccccc1
InChIInChI=1S/C24H38OSi/c1-9-23(17-18-24-13-11-10-12-14-24)16-15-22(8)25-26(19(2)3,20(4)5)21(6)7/h9-14,19-23H,1,17-18H2,2-8H3/t22-,23-/m0/s1
InChIKeyJZOHDQLJROQSME-GOTSBHOMSA-N
MW370.65 g/mol
LogP7.01
Rot. Bonds9

About [(2S,5S)-5-(2-phenylethyl)hept-6-en-3-yn-2-yl]oxy-tri(propan-2-yl)silane

[(2S,5S)-5-(2-phenylethyl)hept-6-en-3-yn-2-yl]oxy-tri(propan-2-yl)silane (PubChem CID 135061213) has the molecular formula C24H38OSi and a molecular weight of 370.65 g/mol. Its IUPAC name is [(2S,5S)-5-(2-phenylethyl)hept-6-en-3-yn-2-yl]oxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(2S,5S)-5-(2-phenylethyl)hept-6-en-3-yn-2-yl]oxy-tri(propan-2-yl)silane
PubChem CID135061213
Molecular FormulaC24H38OSi
Molecular Weight370.65 g/mol
Exact Mass370.27
IUPAC Name[(2S,5S)-5-(2-phenylethyl)hept-6-en-3-yn-2-yl]oxy-tri(propan-2-yl)silane
SMILESC=C[C@@H](C#C[C@H](C)O[Si](C(C)C)(C(C)C)C(C)C)CCc1ccccc1
InChIInChI=1S/C24H38OSi/c1-9-23(17-18-24-13-11-10-12-14-24)16-15-22(8)25-26(19(2)3,20(4)5)21(6)7/h9-14,19-23H,1,17-18H2,2-8H3/t22-,23-/m0/s1
InChIKeyJZOHDQLJROQSME-GOTSBHOMSA-N
XLogP7.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.65
LogP ≤ 57.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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

[(3S)-3-(2-phenylethyl)pent-4-en-1-ynyl]benzene
CID 135061979
[(3S)-3-ethenyl-6,6-dimethylhept-4-ynyl]benzene
CID 135061212
2-(2-phenylethyl)but-3-enenitrile
CID 172991765
N-[(4S)-4-(2-phenylethyl)hex-5-en-2-ynyl]benzamide
CID 155935142
[(E)-3-(2-phenylethyl)hex-4-en-1-ynyl]-tri(propan-2-yl)silane
CID 102346323
[(2E,5E)-hepta-2,5-dien-4-yl]oxy-(5-phenylpent-1-en-3-yloxy)-di(propan-2-yl)silane
CID 135079832
tri(propan-2-yl)-[(4S)-4,5,6-tris(phenylmethoxy)octa-1,7-dien-3-yl]oxysilane
CID 59435867
(3S)-4-methyl-1-phenylhex-5-en-3-ol
CID 177392866
(4S)-4-methyl-1-phenylhex-5-en-3-ol
CID 12938739
ethene;3-methylbutylbenzene
CID 145421013
(3R)-N-methyl-5-phenylpent-1-en-3-amine
CID 124509710
2-ethenyl-3-methyl-5-phenylpentan-1-ol
CID 129208620

Frequently Asked Questions

What is the IUPAC name of [(2S,5S)-5-(2-phenylethyl)hept-6-en-3-yn-2-yl]oxy-tri(propan-2-yl)silane?
The IUPAC name of [(2S,5S)-5-(2-phenylethyl)hept-6-en-3-yn-2-yl]oxy-tri(propan-2-yl)silane (CID 135061213) is [(2S,5S)-5-(2-phenylethyl)hept-6-en-3-yn-2-yl]oxy-tri(propan-2-yl)silane.
What is the SMILES notation for [(2S,5S)-5-(2-phenylethyl)hept-6-en-3-yn-2-yl]oxy-tri(propan-2-yl)silane?
The canonical SMILES for [(2S,5S)-5-(2-phenylethyl)hept-6-en-3-yn-2-yl]oxy-tri(propan-2-yl)silane is C=C[C@@H](C#C[C@H](C)O[Si](C(C)C)(C(C)C)C(C)C)CCc1ccccc1.
What is the InChIKey of [(2S,5S)-5-(2-phenylethyl)hept-6-en-3-yn-2-yl]oxy-tri(propan-2-yl)silane?
The InChIKey is JZOHDQLJROQSME-GOTSBHOMSA-N. The full InChI is InChI=1S/C24H38OSi/c1-9-23(17-18-24-13-11-10-12-14-24)16-15-22(8)25-26(19(2)3,20(4)5)21(6)7/h9-14,19-23H,1,17-18H2,2-8H3/t22-,23-/m0/s1.
What are the key properties of [(2S,5S)-5-(2-phenylethyl)hept-6-en-3-yn-2-yl]oxy-tri(propan-2-yl)silane?
[(2S,5S)-5-(2-phenylethyl)hept-6-en-3-yn-2-yl]oxy-tri(propan-2-yl)silane has a molecular weight of 370.65 g/mol, XLogP of 7.01, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5S)-5-(2-phenylethyl)hept-6-en-3-yn-2-yl]oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 135061213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).