(5-cyclopenta-2,4-dien-1-yl-3-phenyl-1,4,2-oxathiazol-5-yl)-trimethylsilane

C16H19NOSSi — CID 101035865

IUPAC(5-cyclopenta-2,4-dien-1-yl-3-phenyl-1,4,2-oxathiazol-5-yl)-trimethylsilane
SMILESC[Si](C)(C)C1(C2C=CC=C2)ON=C(c2ccccc2)S1
InChIInChI=1S/C16H19NOSSi/c1-20(2,3)16(14-11-7-8-12-14)18-17-15(19-16)13-9-5-4-6-10-13/h4-12,14H,1-3H3
InChIKeyFAKUOKGMELABBT-UHFFFAOYSA-N
MW301.49 g/mol
LogP4.43
Rot. Bonds3

About (5-cyclopenta-2,4-dien-1-yl-3-phenyl-1,4,2-oxathiazol-5-yl)-trimethylsilane

(5-cyclopenta-2,4-dien-1-yl-3-phenyl-1,4,2-oxathiazol-5-yl)-trimethylsilane (PubChem CID 101035865) has the molecular formula C16H19NOSSi and a molecular weight of 301.49 g/mol. Its IUPAC name is (5-cyclopenta-2,4-dien-1-yl-3-phenyl-1,4,2-oxathiazol-5-yl)-trimethylsilane.

Molecular Properties

Compound Name(5-cyclopenta-2,4-dien-1-yl-3-phenyl-1,4,2-oxathiazol-5-yl)-trimethylsilane
PubChem CID101035865
Molecular FormulaC16H19NOSSi
Molecular Weight301.49 g/mol
Exact Mass301.10
IUPAC Name(5-cyclopenta-2,4-dien-1-yl-3-phenyl-1,4,2-oxathiazol-5-yl)-trimethylsilane
SMILESC[Si](C)(C)C1(C2C=CC=C2)ON=C(c2ccccc2)S1
InChIInChI=1S/C16H19NOSSi/c1-20(2,3)16(14-11-7-8-12-14)18-17-15(19-16)13-9-5-4-6-10-13/h4-12,14H,1-3H3
InChIKeyFAKUOKGMELABBT-UHFFFAOYSA-N
XLogP4.43
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.49
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(6R,7S,8S,9R)-9-(hydroxymethyl)-3-phenyl-1,10-dioxa-4-thia-2-azaspiro[4.5]dec-2-ene-6,7,8-triol
CID 44517684
iridium;bis(2-phenyl-3a,7a-dihydro-1,3-benzothiazole)
CID 58725428
4-(bromomethyl)-4-methyl-2-phenyl-5H-1,3-thiazole
CID 102236722
4,4-dichloro-5-methyl-3-phenyl-1,2-oxazol-5-ol
CID 12905773
cyclopenta-2,4-dien-1-yl-methyl-diphenylsilane;titanium
CID 174994654
2,5-diphenyl-1,3,4-thiadiazole;ethane
CID 91287482
4,4-dimethyl-2,7-diphenyl-6-oxa-1,9-dithia-3-azaspiro[4.4]nona-2,7-diene
CID 10947783
methyl (4R)-5,5-dimethyl-2-phenyl-4H-1,3-thiazole-4-carboxylate
CID 11436612
2,4-diphenyl-1,3,5-oxathiazin-6-one
CID 134113894
2-methyl-5-phenyl-2-propyl-3H-1,3,4-thiadiazole
CID 4084826
benzene;1,1'-biphenyl;ethane
CID 158550617
cyclopenta-2,4-dien-1-yl-dimethyl-triphenylsilylsilane
CID 122207041

Frequently Asked Questions

What is the IUPAC name of (5-cyclopenta-2,4-dien-1-yl-3-phenyl-1,4,2-oxathiazol-5-yl)-trimethylsilane?
The IUPAC name of (5-cyclopenta-2,4-dien-1-yl-3-phenyl-1,4,2-oxathiazol-5-yl)-trimethylsilane (CID 101035865) is (5-cyclopenta-2,4-dien-1-yl-3-phenyl-1,4,2-oxathiazol-5-yl)-trimethylsilane.
What is the SMILES notation for (5-cyclopenta-2,4-dien-1-yl-3-phenyl-1,4,2-oxathiazol-5-yl)-trimethylsilane?
The canonical SMILES for (5-cyclopenta-2,4-dien-1-yl-3-phenyl-1,4,2-oxathiazol-5-yl)-trimethylsilane is C[Si](C)(C)C1(C2C=CC=C2)ON=C(c2ccccc2)S1.
What is the InChIKey of (5-cyclopenta-2,4-dien-1-yl-3-phenyl-1,4,2-oxathiazol-5-yl)-trimethylsilane?
The InChIKey is FAKUOKGMELABBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NOSSi/c1-20(2,3)16(14-11-7-8-12-14)18-17-15(19-16)13-9-5-4-6-10-13/h4-12,14H,1-3H3.
What are the key properties of (5-cyclopenta-2,4-dien-1-yl-3-phenyl-1,4,2-oxathiazol-5-yl)-trimethylsilane?
(5-cyclopenta-2,4-dien-1-yl-3-phenyl-1,4,2-oxathiazol-5-yl)-trimethylsilane has a molecular weight of 301.49 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopenta-2,4-dien-1-yl-3-phenyl-1,4,2-oxathiazol-5-yl)-trimethylsilane is sourced from PubChem (CID 101035865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).