[(E)-5-phenylpent-2-enyl]sulfanyl-tri(propan-2-yl)silane

C20H34SSi — CID 56641937

IUPAC[(E)-5-phenylpent-2-enyl]sulfanyl-tri(propan-2-yl)silane
SMILESCC(C)[Si](SC/C=C/CCc1ccccc1)(C(C)C)C(C)C
InChIInChI=1S/C20H34SSi/c1-17(2)22(18(3)4,19(5)6)21-16-12-8-11-15-20-13-9-7-10-14-20/h7-10,12-14,17-19H,11,15-16H2,1-6H3/b12-8+
InChIKeyDYURGZFJBMBUFT-XYOKQWHBSA-N
MW334.64 g/mol
LogP7.08
Rot. Bonds9

About [(E)-5-phenylpent-2-enyl]sulfanyl-tri(propan-2-yl)silane

[(E)-5-phenylpent-2-enyl]sulfanyl-tri(propan-2-yl)silane (PubChem CID 56641937) has the molecular formula C20H34SSi and a molecular weight of 334.64 g/mol. Its IUPAC name is [(E)-5-phenylpent-2-enyl]sulfanyl-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(E)-5-phenylpent-2-enyl]sulfanyl-tri(propan-2-yl)silane
PubChem CID56641937
Molecular FormulaC20H34SSi
Molecular Weight334.64 g/mol
Exact Mass334.22
IUPAC Name[(E)-5-phenylpent-2-enyl]sulfanyl-tri(propan-2-yl)silane
SMILESCC(C)[Si](SC/C=C/CCc1ccccc1)(C(C)C)C(C)C
InChIInChI=1S/C20H34SSi/c1-17(2)22(18(3)4,19(5)6)21-16-12-8-11-15-20-13-9-7-10-14-20/h7-10,12-14,17-19H,11,15-16H2,1-6H3/b12-8+
InChIKeyDYURGZFJBMBUFT-XYOKQWHBSA-N
XLogP7.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.64
LogP ≤ 57.08
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'}

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Related Compounds

[(Z)-5-methylhex-3-enyl]benzene
CID 13403768
[(Z)-7-phenylhept-4-en-1-ynyl]-tri(propan-2-yl)silane
CID 135063552
pent-3-enylbenzene
CID 519421
[(E)-5-chloropent-3-enyl]benzene
CID 101263863
(Z)-2-methyl-7-phenylhept-4-en-3-one
CID 101116591
[(E)-4,5-dimethylhex-3-enyl]benzene
CID 14959713
hepta-3,5-dienylbenzene
CID 54230830
[(3E,5Z)-hepta-3,5-dienyl]benzene
CID 12021636
1-methyl-3-[(E)-4-phenylbut-1-enyl]benzene
CID 102140920
tris[(2-methylpropan-2-yl)oxy]-[(E)-4-phenylbut-1-enyl]silane
CID 102572986
[(Z)-5,5-dimethoxypent-3-enyl]benzene
CID 102219154
triethyl-[(E)-5-phenylpent-2-enyl]germane
CID 10913752

Frequently Asked Questions

What is the IUPAC name of [(E)-5-phenylpent-2-enyl]sulfanyl-tri(propan-2-yl)silane?
The IUPAC name of [(E)-5-phenylpent-2-enyl]sulfanyl-tri(propan-2-yl)silane (CID 56641937) is [(E)-5-phenylpent-2-enyl]sulfanyl-tri(propan-2-yl)silane.
What is the SMILES notation for [(E)-5-phenylpent-2-enyl]sulfanyl-tri(propan-2-yl)silane?
The canonical SMILES for [(E)-5-phenylpent-2-enyl]sulfanyl-tri(propan-2-yl)silane is CC(C)[Si](SC/C=C/CCc1ccccc1)(C(C)C)C(C)C.
What is the InChIKey of [(E)-5-phenylpent-2-enyl]sulfanyl-tri(propan-2-yl)silane?
The InChIKey is DYURGZFJBMBUFT-XYOKQWHBSA-N. The full InChI is InChI=1S/C20H34SSi/c1-17(2)22(18(3)4,19(5)6)21-16-12-8-11-15-20-13-9-7-10-14-20/h7-10,12-14,17-19H,11,15-16H2,1-6H3/b12-8+.
What are the key properties of [(E)-5-phenylpent-2-enyl]sulfanyl-tri(propan-2-yl)silane?
[(E)-5-phenylpent-2-enyl]sulfanyl-tri(propan-2-yl)silane has a molecular weight of 334.64 g/mol, XLogP of 7.08, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-5-phenylpent-2-enyl]sulfanyl-tri(propan-2-yl)silane is sourced from PubChem (CID 56641937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).