methanedithiolate;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;1,2,3,4,5-pentamethylcyclopentane;ytterbium

C21H32S2Yb-8 — CID 11985810

IUPACmethanedithiolate;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;1,2,3,4,5-pentamethylcyclopentane;ytterbium
SMILESC[c-]1[c-](C)[c-](C)[c-](C)[c-]1C.Cc1c(C)c(C)[c-](C)c1C.[S-]C[S-].[Yb]
InChIInChI=1S/2C10H15.CH4S2.Yb/c2*1-6-7(2)9(4)10(5)8(6)3;2-1-3;/h2*1-5H3;2-3H,1H2;/q-5;-1;;/p-2
InChIKeyRPESEMXWBLDMHC-UHFFFAOYSA-L
MW521.66 g/mol
LogP5.93
Rot. Bonds

About methanedithiolate;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;1,2,3,4,5-pentamethylcyclopentane;ytterbium

methanedithiolate;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;1,2,3,4,5-pentamethylcyclopentane;ytterbium (PubChem CID 11985810) has the molecular formula C21H32S2Yb-8 and a molecular weight of 521.66 g/mol. Its IUPAC name is methanedithiolate;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;1,2,3,4,5-pentamethylcyclopentane;ytterbium.

Molecular Properties

Compound Namemethanedithiolate;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;1,2,3,4,5-pentamethylcyclopentane;ytterbium
PubChem CID11985810
Molecular FormulaC21H32S2Yb-8
Molecular Weight521.66 g/mol
Exact Mass522.14
IUPAC Namemethanedithiolate;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;1,2,3,4,5-pentamethylcyclopentane;ytterbium
SMILESC[c-]1[c-](C)[c-](C)[c-](C)[c-]1C.Cc1c(C)c(C)[c-](C)c1C.[S-]C[S-].[Yb]
InChIInChI=1S/2C10H15.CH4S2.Yb/c2*1-6-7(2)9(4)10(5)8(6)3;2-1-3;/h2*1-5H3;2-3H,1H2;/q-5;-1;;/p-2
InChIKeyRPESEMXWBLDMHC-UHFFFAOYSA-L
XLogP5.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.66
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

CID 11986061
CID 11986061
nickel;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;1,2,3,4,5-pentamethylcyclopentane
CID 11984772
cobalt;bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene);1,2,3,4,5-pentamethylcyclopentane
CID 11987162
1,2,3,4,5-pentamethylcyclopenta-1,3-diene;ruthenium(2+)
CID 154465312
nickel(2+);bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene)
CID 5148230
iron;1,2,3,4,5-pentamethylcyclopenta-1,3-diene
CID 141410099
nickel;1,2,3,4,5-pentamethylcyclopenta-1,3-diene
CID 141169485
carbon monoxide;ethanethiolate;iron;bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene);dihydroiodide
CID 156619335
bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene);bis(titanium(4+));diiodide
CID 172696941
carbanide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;tantalum(5+)
CID 15777144
carbanide;chromium(3+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene
CID 139722502
hafnium(4+);bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene);dichloride
CID 87375739

Frequently Asked Questions

What is the IUPAC name of methanedithiolate;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;1,2,3,4,5-pentamethylcyclopentane;ytterbium?
The IUPAC name of methanedithiolate;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;1,2,3,4,5-pentamethylcyclopentane;ytterbium (CID 11985810) is methanedithiolate;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;1,2,3,4,5-pentamethylcyclopentane;ytterbium.
What is the SMILES notation for methanedithiolate;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;1,2,3,4,5-pentamethylcyclopentane;ytterbium?
The canonical SMILES for methanedithiolate;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;1,2,3,4,5-pentamethylcyclopentane;ytterbium is C[c-]1[c-](C)[c-](C)[c-](C)[c-]1C.Cc1c(C)c(C)[c-](C)c1C.[S-]C[S-].[Yb].
What is the InChIKey of methanedithiolate;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;1,2,3,4,5-pentamethylcyclopentane;ytterbium?
The InChIKey is RPESEMXWBLDMHC-UHFFFAOYSA-L. The full InChI is InChI=1S/2C10H15.CH4S2.Yb/c2*1-6-7(2)9(4)10(5)8(6)3;2-1-3;/h2*1-5H3;2-3H,1H2;/q-5;-1;;/p-2.
What are the key properties of methanedithiolate;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;1,2,3,4,5-pentamethylcyclopentane;ytterbium?
methanedithiolate;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;1,2,3,4,5-pentamethylcyclopentane;ytterbium has a molecular weight of 521.66 g/mol, XLogP of 5.93, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methanedithiolate;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;1,2,3,4,5-pentamethylcyclopentane;ytterbium is sourced from PubChem (CID 11985810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).