(Z)-1-[tert-butyl(dimethyl)silyl]-3-phenylsulfanylprop-2-en-1-one

C15H22OSSi — CID 10934787

IUPAC(Z)-1-[tert-butyl(dimethyl)silyl]-3-phenylsulfanylprop-2-en-1-one
SMILESCC(C)(C)[Si](C)(C)C(=O)/C=C\Sc1ccccc1
InChIInChI=1S/C15H22OSSi/c1-15(2,3)18(4,5)14(16)11-12-17-13-9-7-6-8-10-13/h6-12H,1-5H3/b12-11-
InChIKeyKOSJUTPWLHQGSK-QXMHVHEDSA-N
MW278.49 g/mol
LogP4.91
Rot. Bonds4

About (Z)-1-[tert-butyl(dimethyl)silyl]-3-phenylsulfanylprop-2-en-1-one

(Z)-1-[tert-butyl(dimethyl)silyl]-3-phenylsulfanylprop-2-en-1-one (PubChem CID 10934787) has the molecular formula C15H22OSSi and a molecular weight of 278.49 g/mol. Its IUPAC name is (Z)-1-[tert-butyl(dimethyl)silyl]-3-phenylsulfanylprop-2-en-1-one.

Molecular Properties

Compound Name(Z)-1-[tert-butyl(dimethyl)silyl]-3-phenylsulfanylprop-2-en-1-one
PubChem CID10934787
Molecular FormulaC15H22OSSi
Molecular Weight278.49 g/mol
Exact Mass278.12
IUPAC Name(Z)-1-[tert-butyl(dimethyl)silyl]-3-phenylsulfanylprop-2-en-1-one
SMILESCC(C)(C)[Si](C)(C)C(=O)/C=C\Sc1ccccc1
InChIInChI=1S/C15H22OSSi/c1-15(2,3)18(4,5)14(16)11-12-17-13-9-7-6-8-10-13/h6-12H,1-5H3/b12-11-
InChIKeyKOSJUTPWLHQGSK-QXMHVHEDSA-N
XLogP4.91
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.49
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

azane;(E)-3-phenylsulfanylprop-2-enoic acid
CID 131666969
(E)-1-phenylsulfanylpent-1-en-3-one
CID 14224807
3-phenylsulfanylprop-2-enoate
CID 4914453
(E)-1-phenyl-4-phenylsulfanylbut-3-en-2-one
CID 175599085
(2E,4E)-5-phenylsulfanylpenta-2,4-dienoic acid
CID 15721222
(E)-3-phenylsulfanyl-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 175599105
[(E)-2,2-dimethyl-4-phenylsulfanylbut-3-enyl] acetate
CID 10753205
ethyl N-(3-phenylsulfanylprop-2-enoyl)carbamate
CID 69128190
[(E)-but-1-enyl]sulfanylbenzene
CID 5463005
[(Z)-2-chloro-3,3-dimethylbut-1-enyl]sulfanylbenzene
CID 125477364
(E)-3-pyridin-4-ylsulfanylprop-2-enoic acid
CID 18002515
[(E)-2-methyl-4-phenylsulfanylbut-3-en-2-yl]sulfanylbenzene
CID 11808288

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[tert-butyl(dimethyl)silyl]-3-phenylsulfanylprop-2-en-1-one?
The IUPAC name of (Z)-1-[tert-butyl(dimethyl)silyl]-3-phenylsulfanylprop-2-en-1-one (CID 10934787) is (Z)-1-[tert-butyl(dimethyl)silyl]-3-phenylsulfanylprop-2-en-1-one.
What is the SMILES notation for (Z)-1-[tert-butyl(dimethyl)silyl]-3-phenylsulfanylprop-2-en-1-one?
The canonical SMILES for (Z)-1-[tert-butyl(dimethyl)silyl]-3-phenylsulfanylprop-2-en-1-one is CC(C)(C)[Si](C)(C)C(=O)/C=C\Sc1ccccc1.
What is the InChIKey of (Z)-1-[tert-butyl(dimethyl)silyl]-3-phenylsulfanylprop-2-en-1-one?
The InChIKey is KOSJUTPWLHQGSK-QXMHVHEDSA-N. The full InChI is InChI=1S/C15H22OSSi/c1-15(2,3)18(4,5)14(16)11-12-17-13-9-7-6-8-10-13/h6-12H,1-5H3/b12-11-.
What are the key properties of (Z)-1-[tert-butyl(dimethyl)silyl]-3-phenylsulfanylprop-2-en-1-one?
(Z)-1-[tert-butyl(dimethyl)silyl]-3-phenylsulfanylprop-2-en-1-one has a molecular weight of 278.49 g/mol, XLogP of 4.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[tert-butyl(dimethyl)silyl]-3-phenylsulfanylprop-2-en-1-one is sourced from PubChem (CID 10934787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).