(E)-1-triphenylgermylbut-2-en-1-one

C22H20GeO — CID 11646445

IUPAC(E)-1-triphenylgermylbut-2-en-1-one
SMILESC/C=C/C(=O)[Ge](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H20GeO/c1-2-12-22(24)23(19-13-6-3-7-14-19,20-15-8-4-9-16-20)21-17-10-5-11-18-21/h2-18H,1H3/b12-2+
InChIKeyOTUGPXFNTAAXIE-SWGQDTFXSA-N
MW373.01 g/mol
LogP2.84
Rot. Bonds5

About (E)-1-triphenylgermylbut-2-en-1-one

(E)-1-triphenylgermylbut-2-en-1-one (PubChem CID 11646445) has the molecular formula C22H20GeO and a molecular weight of 373.01 g/mol. Its IUPAC name is (E)-1-triphenylgermylbut-2-en-1-one.

Molecular Properties

Compound Name(E)-1-triphenylgermylbut-2-en-1-one
PubChem CID11646445
Molecular FormulaC22H20GeO
Molecular Weight373.01 g/mol
Exact Mass374.07
IUPAC Name(E)-1-triphenylgermylbut-2-en-1-one
SMILESC/C=C/C(=O)[Ge](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H20GeO/c1-2-12-22(24)23(19-13-6-3-7-14-19,20-15-8-4-9-16-20)21-17-10-5-11-18-21/h2-18H,1H3/b12-2+
InChIKeyOTUGPXFNTAAXIE-SWGQDTFXSA-N
XLogP2.84
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.01
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Fentin acetate
CID 16682804
Bis(acetato-O-)triphenylantimony
CID 16683106
Triphenylplumbyl acetate
CID 16682953
1-(Triphenylphosphoranylidene)acetone
CID 15038
Rhodium, carbonyl(2,4-pentanedionato-kappaO2,kappaO4)(triphenylphosphine)-, (SP-4-2)-
CID 5486408
Triphenyltin hydroxide acetate
CID 9909408
(Acetylsulfanyl)(triphenyl)plumbane
CID 16682799
Triphenylgermane
CID 76060
(Triphenylphosphoranylidene)ketene
CID 359581
2-Propanone, 1-(triphenylphosphoranyl)-
CID 196995
(Acetyloxy)(triphenyl)germane
CID 16682782
Acetyltriphenylsilane
CID 5226386

Frequently Asked Questions

What is the IUPAC name of (E)-1-triphenylgermylbut-2-en-1-one?
The IUPAC name of (E)-1-triphenylgermylbut-2-en-1-one (CID 11646445) is (E)-1-triphenylgermylbut-2-en-1-one.
What is the SMILES notation for (E)-1-triphenylgermylbut-2-en-1-one?
The canonical SMILES for (E)-1-triphenylgermylbut-2-en-1-one is C/C=C/C(=O)[Ge](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-1-triphenylgermylbut-2-en-1-one?
The InChIKey is OTUGPXFNTAAXIE-SWGQDTFXSA-N. The full InChI is InChI=1S/C22H20GeO/c1-2-12-22(24)23(19-13-6-3-7-14-19,20-15-8-4-9-16-20)21-17-10-5-11-18-21/h2-18H,1H3/b12-2+.
What are the key properties of (E)-1-triphenylgermylbut-2-en-1-one?
(E)-1-triphenylgermylbut-2-en-1-one has a molecular weight of 373.01 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-triphenylgermylbut-2-en-1-one is sourced from PubChem (CID 11646445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).