2-methyloxolane;bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene);ytterbium(2+)

C25H40OYb — CID 158124225

IUPAC2-methyloxolane;bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene);ytterbium(2+)
SMILESCC1CCCO1.Cc1c(C)c(C)[c-](C)c1C.Cc1c(C)c(C)[c-](C)c1C.[Yb+2]
InChIInChI=1S/2C10H15.C5H10O.Yb/c2*1-6-7(2)9(4)10(5)8(6)3;1-5-3-2-4-6-5;/h2*1-5H3;5H,2-4H2,1H3;/q2*-1;;+2
InChIKeyGKMPQTQXWQYDQZ-UHFFFAOYSA-N
MW529.63 g/mol
LogP7.08
Rot. Bonds

About 2-methyloxolane;bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene);ytterbium(2+)

2-methyloxolane;bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene);ytterbium(2+) (PubChem CID 158124225) has the molecular formula C25H40OYb and a molecular weight of 529.63 g/mol. Its IUPAC name is 2-methyloxolane;bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene);ytterbium(2+).

Molecular Properties

Compound Name2-methyloxolane;bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene);ytterbium(2+)
PubChem CID158124225
Molecular FormulaC25H40OYb
Molecular Weight529.63 g/mol
Exact Mass530.25
IUPAC Name2-methyloxolane;bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene);ytterbium(2+)
SMILESCC1CCCO1.Cc1c(C)c(C)[c-](C)c1C.Cc1c(C)c(C)[c-](C)c1C.[Yb+2]
InChIInChI=1S/2C10H15.C5H10O.Yb/c2*1-6-7(2)9(4)10(5)8(6)3;1-5-3-2-4-6-5;/h2*1-5H3;5H,2-4H2,1H3;/q2*-1;;+2
InChIKeyGKMPQTQXWQYDQZ-UHFFFAOYSA-N
XLogP7.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.63
LogP ≤ 57.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyloxolane;bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene);ytterbium(2+)?
The IUPAC name of 2-methyloxolane;bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene);ytterbium(2+) (CID 158124225) is 2-methyloxolane;bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene);ytterbium(2+).
What is the SMILES notation for 2-methyloxolane;bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene);ytterbium(2+)?
The canonical SMILES for 2-methyloxolane;bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene);ytterbium(2+) is CC1CCCO1.Cc1c(C)c(C)[c-](C)c1C.Cc1c(C)c(C)[c-](C)c1C.[Yb+2].
What is the InChIKey of 2-methyloxolane;bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene);ytterbium(2+)?
The InChIKey is GKMPQTQXWQYDQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H15.C5H10O.Yb/c2*1-6-7(2)9(4)10(5)8(6)3;1-5-3-2-4-6-5;/h2*1-5H3;5H,2-4H2,1H3;/q2*-1;;+2.
What are the key properties of 2-methyloxolane;bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene);ytterbium(2+)?
2-methyloxolane;bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene);ytterbium(2+) has a molecular weight of 529.63 g/mol, XLogP of 7.08, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyloxolane;bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene);ytterbium(2+) is sourced from PubChem (CID 158124225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).