CID 101282260

C18H30Zn — CID 101282260

IUPAC—
SMILESC=C(C)CC1[CH]C1(C)C.C=C(C)CC1[CH]C1(C)C.[Zn]
InChIInChI=1S/2C9H15.Zn/c2*1-7(2)5-8-6-9(8,3)4;/h2*6,8H,1,5H2,2-4H3;
InChIKeyVGQHHQUGKHBTQT-UHFFFAOYSA-N
MW311.83 g/mol
LogP5.62
Rot. Bonds4

About CID 101282260

CID 101282260 (PubChem CID 101282260) has the molecular formula C18H30Zn and a molecular weight of 311.83 g/mol.

Molecular Properties

Compound NameCID 101282260
PubChem CID101282260
Molecular FormulaC18H30Zn
Molecular Weight311.83 g/mol
Exact Mass310.16
IUPAC Name—
SMILESC=C(C)CC1[CH]C1(C)C.C=C(C)CC1[CH]C1(C)C.[Zn]
InChIInChI=1S/2C9H15.Zn/c2*1-7(2)5-8-6-9(8,3)4;/h2*6,8H,1,5H2,2-4H3;
InChIKeyVGQHHQUGKHBTQT-UHFFFAOYSA-N
XLogP5.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.83
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 101282260?
The IUPAC name of CID 101282260 (CID 101282260) is not available.
What is the SMILES notation for CID 101282260?
The canonical SMILES for CID 101282260 is C=C(C)CC1[CH]C1(C)C.C=C(C)CC1[CH]C1(C)C.[Zn].
What is the InChIKey of CID 101282260?
The InChIKey is VGQHHQUGKHBTQT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H15.Zn/c2*1-7(2)5-8-6-9(8,3)4;/h2*6,8H,1,5H2,2-4H3;.
What are the key properties of CID 101282260?
CID 101282260 has a molecular weight of 311.83 g/mol, XLogP of 5.62, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101282260 is sourced from PubChem (CID 101282260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).