CID 15858660

C14H19Se2 — CID 15858660

IUPAC—
SMILESCC1(C)CCC(C)(C)c2cc([Se][Se])ccc21
InChIInChI=1S/C14H19Se2/c1-13(2)7-8-14(3,4)12-9-10(16-15)5-6-11(12)13/h5-6,9H,7-8H2,1-4H3
InChIKeyQDDVOXGALSRBRK-UHFFFAOYSA-N
MW345.23 g/mol
LogP2.45
Rot. Bonds1

About CID 15858660

CID 15858660 (PubChem CID 15858660) has the molecular formula C14H19Se2 and a molecular weight of 345.23 g/mol.

Molecular Properties

Compound NameCID 15858660
PubChem CID15858660
Molecular FormulaC14H19Se2
Molecular Weight345.23 g/mol
Exact Mass346.98
IUPAC Name—
SMILESCC1(C)CCC(C)(C)c2cc([Se][Se])ccc21
InChIInChI=1S/C14H19Se2/c1-13(2)7-8-14(3,4)12-9-10(16-15)5-6-11(12)13/h5-6,9H,7-8H2,1-4H3
InChIKeyQDDVOXGALSRBRK-UHFFFAOYSA-N
XLogP2.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.23
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 15858660?
The IUPAC name of CID 15858660 (CID 15858660) is not available.
What is the SMILES notation for CID 15858660?
The canonical SMILES for CID 15858660 is CC1(C)CCC(C)(C)c2cc([Se][Se])ccc21.
What is the InChIKey of CID 15858660?
The InChIKey is QDDVOXGALSRBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Se2/c1-13(2)7-8-14(3,4)12-9-10(16-15)5-6-11(12)13/h5-6,9H,7-8H2,1-4H3.
What are the key properties of CID 15858660?
CID 15858660 has a molecular weight of 345.23 g/mol, XLogP of 2.45, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 15858660 is sourced from PubChem (CID 15858660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).