[(E)-3-(2-phenylethyl)hex-4-en-1-ynyl]-tri(propan-2-yl)silane

C23H36Si — CID 102346323

IUPAC[(E)-3-(2-phenylethyl)hex-4-en-1-ynyl]-tri(propan-2-yl)silane
SMILESC/C=C/C(C#C[Si](C(C)C)(C(C)C)C(C)C)CCc1ccccc1
InChIInChI=1S/C23H36Si/c1-8-12-22(15-16-23-13-10-9-11-14-23)17-18-24(19(2)3,20(4)5)21(6)7/h8-14,19-22H,15-16H2,1-7H3/b12-8+
InChIKeyQRQDPTWDNJPAPQ-XYOKQWHBSA-N
MW340.63 g/mol
LogP7.03
Rot. Bonds7

About [(E)-3-(2-phenylethyl)hex-4-en-1-ynyl]-tri(propan-2-yl)silane

[(E)-3-(2-phenylethyl)hex-4-en-1-ynyl]-tri(propan-2-yl)silane (PubChem CID 102346323) has the molecular formula C23H36Si and a molecular weight of 340.63 g/mol. Its IUPAC name is [(E)-3-(2-phenylethyl)hex-4-en-1-ynyl]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(E)-3-(2-phenylethyl)hex-4-en-1-ynyl]-tri(propan-2-yl)silane
PubChem CID102346323
Molecular FormulaC23H36Si
Molecular Weight340.63 g/mol
Exact Mass340.26
IUPAC Name[(E)-3-(2-phenylethyl)hex-4-en-1-ynyl]-tri(propan-2-yl)silane
SMILESC/C=C/C(C#C[Si](C(C)C)(C(C)C)C(C)C)CCc1ccccc1
InChIInChI=1S/C23H36Si/c1-8-12-22(15-16-23-13-10-9-11-14-23)17-18-24(19(2)3,20(4)5)21(6)7/h8-14,19-22H,15-16H2,1-7H3/b12-8+
InChIKeyQRQDPTWDNJPAPQ-XYOKQWHBSA-N
XLogP7.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.63
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

[(3R)-3-bis(phenylmethoxy)phosphoryl-5-phenylpent-1-ynyl]-tri(propan-2-yl)silane
CID 166637260
[(3R)-3-diethoxyphosphoryl-5-phenylpent-1-ynyl]-tri(propan-2-yl)silane
CID 166637256
(Z,3R)-1-phenylhex-4-en-3-ol
CID 129363881
[(2S,5S)-5-(2-phenylethyl)hept-6-en-3-yn-2-yl]oxy-tri(propan-2-yl)silane
CID 135061213
[(Z)-7-phenylhept-4-en-1-ynyl]-tri(propan-2-yl)silane
CID 135063552
3-methoxyhex-4-enylbenzene
CID 71364959
[(Z)-1-phenylhex-4-en-3-yl]oxymethylbenzene
CID 23649924
[(2E,5E)-hepta-2,5-dien-4-yl]oxy-(5-phenylpent-1-en-3-yloxy)-di(propan-2-yl)silane
CID 135079832
[(3S)-3-ethenyl-6,6-dimethylhept-4-ynyl]benzene
CID 135061212
(2-methyl-4-phenylbutylidene)-phosphanylphosphane
CID 89156817
(3-bromo-5-phenylpent-1-ynyl)-trimethylsilane
CID 166637296
[(3S)-3-(2-phenylethyl)pent-4-en-1-ynyl]benzene
CID 135061979

Frequently Asked Questions

What is the IUPAC name of [(E)-3-(2-phenylethyl)hex-4-en-1-ynyl]-tri(propan-2-yl)silane?
The IUPAC name of [(E)-3-(2-phenylethyl)hex-4-en-1-ynyl]-tri(propan-2-yl)silane (CID 102346323) is [(E)-3-(2-phenylethyl)hex-4-en-1-ynyl]-tri(propan-2-yl)silane.
What is the SMILES notation for [(E)-3-(2-phenylethyl)hex-4-en-1-ynyl]-tri(propan-2-yl)silane?
The canonical SMILES for [(E)-3-(2-phenylethyl)hex-4-en-1-ynyl]-tri(propan-2-yl)silane is C/C=C/C(C#C[Si](C(C)C)(C(C)C)C(C)C)CCc1ccccc1.
What is the InChIKey of [(E)-3-(2-phenylethyl)hex-4-en-1-ynyl]-tri(propan-2-yl)silane?
The InChIKey is QRQDPTWDNJPAPQ-XYOKQWHBSA-N. The full InChI is InChI=1S/C23H36Si/c1-8-12-22(15-16-23-13-10-9-11-14-23)17-18-24(19(2)3,20(4)5)21(6)7/h8-14,19-22H,15-16H2,1-7H3/b12-8+.
What are the key properties of [(E)-3-(2-phenylethyl)hex-4-en-1-ynyl]-tri(propan-2-yl)silane?
[(E)-3-(2-phenylethyl)hex-4-en-1-ynyl]-tri(propan-2-yl)silane has a molecular weight of 340.63 g/mol, XLogP of 7.03, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-(2-phenylethyl)hex-4-en-1-ynyl]-tri(propan-2-yl)silane is sourced from PubChem (CID 102346323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).