2-methyl-4,5-di(propan-2-yl)-3H-thiophen-3-ide;yttrium

C11H17SY- — CID 58762996

IUPAC2-methyl-4,5-di(propan-2-yl)-3H-thiophen-3-ide;yttrium
SMILESCc1[c-]c(C(C)C)c(C(C)C)s1.[Y]
InChIInChI=1S/C11H17S.Y/c1-7(2)10-6-9(5)12-11(10)8(3)4;/h7-8H,1-5H3;/q-1;
InChIKeyODTXQTNLWQVFPH-UHFFFAOYSA-N
MW270.23 g/mol
LogP4.10
Rot. Bonds2

About 2-methyl-4,5-di(propan-2-yl)-3H-thiophen-3-ide;yttrium

2-methyl-4,5-di(propan-2-yl)-3H-thiophen-3-ide;yttrium (PubChem CID 58762996) has the molecular formula C11H17SY- and a molecular weight of 270.23 g/mol. Its IUPAC name is 2-methyl-4,5-di(propan-2-yl)-3H-thiophen-3-ide;yttrium.

Molecular Properties

Compound Name2-methyl-4,5-di(propan-2-yl)-3H-thiophen-3-ide;yttrium
PubChem CID58762996
Molecular FormulaC11H17SY-
Molecular Weight270.23 g/mol
Exact Mass270.01
IUPAC Name2-methyl-4,5-di(propan-2-yl)-3H-thiophen-3-ide;yttrium
SMILESCc1[c-]c(C(C)C)c(C(C)C)s1.[Y]
InChIInChI=1S/C11H17S.Y/c1-7(2)10-6-9(5)12-11(10)8(3)4;/h7-8H,1-5H3;/q-1;
InChIKeyODTXQTNLWQVFPH-UHFFFAOYSA-N
XLogP4.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.23
LogP ≤ 54.10
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-methyl-4,5-di(propan-2-yl)-3H-thiophen-3-ide;yttrium?
The IUPAC name of 2-methyl-4,5-di(propan-2-yl)-3H-thiophen-3-ide;yttrium (CID 58762996) is 2-methyl-4,5-di(propan-2-yl)-3H-thiophen-3-ide;yttrium.
What is the SMILES notation for 2-methyl-4,5-di(propan-2-yl)-3H-thiophen-3-ide;yttrium?
The canonical SMILES for 2-methyl-4,5-di(propan-2-yl)-3H-thiophen-3-ide;yttrium is Cc1[c-]c(C(C)C)c(C(C)C)s1.[Y].
What is the InChIKey of 2-methyl-4,5-di(propan-2-yl)-3H-thiophen-3-ide;yttrium?
The InChIKey is ODTXQTNLWQVFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17S.Y/c1-7(2)10-6-9(5)12-11(10)8(3)4;/h7-8H,1-5H3;/q-1;.
What are the key properties of 2-methyl-4,5-di(propan-2-yl)-3H-thiophen-3-ide;yttrium?
2-methyl-4,5-di(propan-2-yl)-3H-thiophen-3-ide;yttrium has a molecular weight of 270.23 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4,5-di(propan-2-yl)-3H-thiophen-3-ide;yttrium is sourced from PubChem (CID 58762996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).