zinc;methylbenzene;oxolane;chloride

C11H15ClOZn — CID 174849831

IUPACzinc;methylbenzene;oxolane;chloride
SMILESC1CCOC1.Cc1cc[c-]cc1.[Cl-].[Zn+2]
InChIInChI=1S/C7H7.C4H8O.ClH.Zn/c1-7-5-3-2-4-6-7;1-2-4-5-3-1;;/h3-6H,1H3;1-4H2;1H;/q-1;;;+2/p-1
InChIKeyLESDKKRYRCLQOJ-UHFFFAOYSA-M
MW264.08 g/mol
LogP-0.41
Rot. Bonds

About zinc;methylbenzene;oxolane;chloride

zinc;methylbenzene;oxolane;chloride (PubChem CID 174849831) has the molecular formula C11H15ClOZn and a molecular weight of 264.08 g/mol. Its IUPAC name is zinc;methylbenzene;oxolane;chloride.

Molecular Properties

Compound Namezinc;methylbenzene;oxolane;chloride
PubChem CID174849831
Molecular FormulaC11H15ClOZn
Molecular Weight264.08 g/mol
Exact Mass262.01
IUPAC Namezinc;methylbenzene;oxolane;chloride
SMILESC1CCOC1.Cc1cc[c-]cc1.[Cl-].[Zn+2]
InChIInChI=1S/C7H7.C4H8O.ClH.Zn/c1-7-5-3-2-4-6-7;1-2-4-5-3-1;;/h3-6H,1H3;1-4H2;1H;/q-1;;;+2/p-1
InChIKeyLESDKKRYRCLQOJ-UHFFFAOYSA-M
XLogP-0.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.08
LogP ≤ 5-0.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of zinc;methylbenzene;oxolane;chloride?
The IUPAC name of zinc;methylbenzene;oxolane;chloride (CID 174849831) is zinc;methylbenzene;oxolane;chloride.
What is the SMILES notation for zinc;methylbenzene;oxolane;chloride?
The canonical SMILES for zinc;methylbenzene;oxolane;chloride is C1CCOC1.Cc1cc[c-]cc1.[Cl-].[Zn+2].
What is the InChIKey of zinc;methylbenzene;oxolane;chloride?
The InChIKey is LESDKKRYRCLQOJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H7.C4H8O.ClH.Zn/c1-7-5-3-2-4-6-7;1-2-4-5-3-1;;/h3-6H,1H3;1-4H2;1H;/q-1;;;+2/p-1.
What are the key properties of zinc;methylbenzene;oxolane;chloride?
zinc;methylbenzene;oxolane;chloride has a molecular weight of 264.08 g/mol, XLogP of -0.41, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;methylbenzene;oxolane;chloride is sourced from PubChem (CID 174849831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).