chloro-bis(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)arsane

C20H30AsCl — CID 12055755

IUPACchloro-bis(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)arsane
SMILESCC1=C(C)C(C)([As](Cl)C2(C)C(C)=C(C)C(C)=C2C)C(C)=C1C
InChIInChI=1S/C20H30AsCl/c1-11-12(2)16(6)19(9,15(11)5)21(22)20(10)17(7)13(3)14(4)18(20)8/h1-10H3
InChIKeyMGFGCQTYESFLHT-UHFFFAOYSA-N
MW380.84 g/mol
LogP7.11
Rot. Bonds2

About chloro-bis(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)arsane

chloro-bis(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)arsane (PubChem CID 12055755) has the molecular formula C20H30AsCl and a molecular weight of 380.84 g/mol. Its IUPAC name is chloro-bis(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)arsane.

Molecular Properties

Compound Namechloro-bis(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)arsane
PubChem CID12055755
Molecular FormulaC20H30AsCl
Molecular Weight380.84 g/mol
Exact Mass380.13
IUPAC Namechloro-bis(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)arsane
SMILESCC1=C(C)C(C)([As](Cl)C2(C)C(C)=C(C)C(C)=C2C)C(C)=C1C
InChIInChI=1S/C20H30AsCl/c1-11-12(2)16(6)19(9,15(11)5)21(22)20(10)17(7)13(3)14(4)18(20)8/h1-10H3
InChIKeyMGFGCQTYESFLHT-UHFFFAOYSA-N
XLogP7.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.84
LogP ≤ 57.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

5-[[bis(trimethylsilyl)amino]-chloroarsanyl]-1,2,3,4,5-pentamethylcyclopenta-1,3-diene
CID 139036734
1,2,3,4,5,6,7,7-octamethylcyclohepta-1,3,5-triene
CID 160680879
CID 15769249
CID 15769249
1-chloro-2,3,4,5,5-pentamethylcyclopenta-1,3-diene;ruthenium
CID 87244974
5-(chloromethyl)-1,2,3,4,5-pentamethylcyclopenta-1,3-diene;silane
CID 158501009
CID 6389183
CID 6389183
CID 91217685
CID 91217685
1,2,3,3,4,4-hexamethylcyclobutene
CID 21059265
3-chloro-1,2,3-trimethyl-4-methylidenecyclobutene
CID 11094732
iodo-methyl-bis(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)silane
CID 134901599
1,2,3,5,5-pentamethyl-4-[(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)methyl]cyclopenta-1,3-diene
CID 18941814
bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene);titanium(4+);diiodide
CID 87168260

Frequently Asked Questions

What is the IUPAC name of chloro-bis(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)arsane?
The IUPAC name of chloro-bis(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)arsane (CID 12055755) is chloro-bis(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)arsane.
What is the SMILES notation for chloro-bis(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)arsane?
The canonical SMILES for chloro-bis(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)arsane is CC1=C(C)C(C)([As](Cl)C2(C)C(C)=C(C)C(C)=C2C)C(C)=C1C.
What is the InChIKey of chloro-bis(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)arsane?
The InChIKey is MGFGCQTYESFLHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30AsCl/c1-11-12(2)16(6)19(9,15(11)5)21(22)20(10)17(7)13(3)14(4)18(20)8/h1-10H3.
What are the key properties of chloro-bis(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)arsane?
chloro-bis(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)arsane has a molecular weight of 380.84 g/mol, XLogP of 7.11, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-bis(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)arsane is sourced from PubChem (CID 12055755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).