[(Z)-[1-phenyl-3-tri(propan-2-yl)silylprop-2-ynylidene]amino] methanesulfonate

C19H29NO3SSi — CID 11068923

IUPAC[(Z)-[1-phenyl-3-tri(propan-2-yl)silylprop-2-ynylidene]amino] methanesulfonate
SMILESCC(C)[Si](C#C/C(=N\OS(C)(=O)=O)c1ccccc1)(C(C)C)C(C)C
InChIInChI=1S/C19H29NO3SSi/c1-15(2)25(16(3)4,17(5)6)14-13-19(20-23-24(7,21)22)18-11-9-8-10-12-18/h8-12,15-17H,1-7H3/b20-19+
InChIKeyHEILBHKOMSZXSD-FMQUCBEESA-N
MW379.60 g/mol
LogP4.59
Rot. Bonds6

About [(Z)-[1-phenyl-3-tri(propan-2-yl)silylprop-2-ynylidene]amino] methanesulfonate

[(Z)-[1-phenyl-3-tri(propan-2-yl)silylprop-2-ynylidene]amino] methanesulfonate (PubChem CID 11068923) has the molecular formula C19H29NO3SSi and a molecular weight of 379.60 g/mol. Its IUPAC name is [(Z)-[1-phenyl-3-tri(propan-2-yl)silylprop-2-ynylidene]amino] methanesulfonate.

Molecular Properties

Compound Name[(Z)-[1-phenyl-3-tri(propan-2-yl)silylprop-2-ynylidene]amino] methanesulfonate
PubChem CID11068923
Molecular FormulaC19H29NO3SSi
Molecular Weight379.60 g/mol
Exact Mass379.16
IUPAC Name[(Z)-[1-phenyl-3-tri(propan-2-yl)silylprop-2-ynylidene]amino] methanesulfonate
SMILESCC(C)[Si](C#C/C(=N\OS(C)(=O)=O)c1ccccc1)(C(C)C)C(C)C
InChIInChI=1S/C19H29NO3SSi/c1-15(2)25(16(3)4,17(5)6)14-13-19(20-23-24(7,21)22)18-11-9-8-10-12-18/h8-12,15-17H,1-7H3/b20-19+
InChIKeyHEILBHKOMSZXSD-FMQUCBEESA-N
XLogP4.59
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.60
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

Dimethyl-(1-phenyl-3-trimethylsilylprop-2-ynylidene)azanium;trifluoromethanesulfonate
CID 15470828
(NZ)-N-(1-phenyl-3-trimethylsilylprop-2-ynylidene)hydroxylamine
CID 140707801
(R)-N-[1-(2-fluorophenyl)-3-tri(propan-2-yl)silylprop-2-ynylidene]-2-methylpropane-2-sulfinamide
CID 123151054
(NZ,R)-N-[1-(2-fluorophenyl)-3-tri(propan-2-yl)silylprop-2-ynylidene]-2-methylpropane-2-sulfinamide
CID 140688437
N-benzhydrylidene-2-trimethylsilylethanesulfonamide
CID 11325424
[(E)-1-phenylethylideneamino] methanesulfonate
CID 12765147
[(E)-(5-methyl-1-phenylhex-5-enylidene)amino] methanesulfonate
CID 15581278
[(E)-1-phenylpropylideneamino] methanesulfonate
CID 134893092
[1-(2-Prop-1-en-2-ylphenyl)propylideneamino] methanesulfonate
CID 139841463
[(E)-[(3Z)-3-phenylhepta-3,6-dien-2-ylidene]amino] methanesulfonate
CID 139841467
[(2-Methyl-1-phenylpenta-2,4-dienylidene)amino] methanesulfonate
CID 139841470
[(E)-[(2Z,5E)-2-methyl-1-phenylhepta-2,5-dienylidene]amino] methanesulfonate
CID 139841477

Frequently Asked Questions

What is the IUPAC name of [(Z)-[1-phenyl-3-tri(propan-2-yl)silylprop-2-ynylidene]amino] methanesulfonate?
The IUPAC name of [(Z)-[1-phenyl-3-tri(propan-2-yl)silylprop-2-ynylidene]amino] methanesulfonate (CID 11068923) is [(Z)-[1-phenyl-3-tri(propan-2-yl)silylprop-2-ynylidene]amino] methanesulfonate.
What is the SMILES notation for [(Z)-[1-phenyl-3-tri(propan-2-yl)silylprop-2-ynylidene]amino] methanesulfonate?
The canonical SMILES for [(Z)-[1-phenyl-3-tri(propan-2-yl)silylprop-2-ynylidene]amino] methanesulfonate is CC(C)[Si](C#C/C(=N\OS(C)(=O)=O)c1ccccc1)(C(C)C)C(C)C.
What is the InChIKey of [(Z)-[1-phenyl-3-tri(propan-2-yl)silylprop-2-ynylidene]amino] methanesulfonate?
The InChIKey is HEILBHKOMSZXSD-FMQUCBEESA-N. The full InChI is InChI=1S/C19H29NO3SSi/c1-15(2)25(16(3)4,17(5)6)14-13-19(20-23-24(7,21)22)18-11-9-8-10-12-18/h8-12,15-17H,1-7H3/b20-19+.
What are the key properties of [(Z)-[1-phenyl-3-tri(propan-2-yl)silylprop-2-ynylidene]amino] methanesulfonate?
[(Z)-[1-phenyl-3-tri(propan-2-yl)silylprop-2-ynylidene]amino] methanesulfonate has a molecular weight of 379.60 g/mol, XLogP of 4.59, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[1-phenyl-3-tri(propan-2-yl)silylprop-2-ynylidene]amino] methanesulfonate is sourced from PubChem (CID 11068923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).