CID 135042228

C14H16Pd — CID 135042228

IUPAC—
SMILESCc1ccc[c-]c1C1[CH-]C2CCC1C2.[Pd+2]
InChIInChI=1S/C14H16.Pd/c1-10-4-2-3-5-13(10)14-9-11-6-7-12(14)8-11;/h2-4,9,11-12,14H,6-8H2,1H3;/q-2;+2
InChIKeyIOYYSWRHDLXIDP-UHFFFAOYSA-N
MW290.70 g/mol
LogP3.51
Rot. Bonds1

About CID 135042228

CID 135042228 (PubChem CID 135042228) has the molecular formula C14H16Pd and a molecular weight of 290.70 g/mol.

Molecular Properties

Compound NameCID 135042228
PubChem CID135042228
Molecular FormulaC14H16Pd
Molecular Weight290.70 g/mol
Exact Mass290.03
IUPAC Name—
SMILESCc1ccc[c-]c1C1[CH-]C2CCC1C2.[Pd+2]
InChIInChI=1S/C14H16.Pd/c1-10-4-2-3-5-13(10)14-9-11-6-7-12(14)8-11;/h2-4,9,11-12,14H,6-8H2,1H3;/q-2;+2
InChIKeyIOYYSWRHDLXIDP-UHFFFAOYSA-N
XLogP3.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.70
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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Petasitene
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(1S,8R)-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undeca-3,5-diene
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1,2,3,4,4a,5,8,8a-Octahydro-1,4-methanonaphthalene
CID 548751
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CID 22297330
1,3,4,5-Tetrahydro-1,1,5,5-tetramethyl-2H-2,4a-methanonaphthalene
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(1S,2R,6S,7R)-2,6-dimethyltricyclo[5.2.1.02,6]dec-3-ene
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(9Z)-9-ethylidenetetracyclo[6.2.1.13,6.02,7]dodec-4-ene
CID 58779450
4-Fluorotricyclo[6.2.1.02,7]undeca-3,5-diene
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8,9-Dehydroisolongifolene
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Frequently Asked Questions

What is the IUPAC name of CID 135042228?
The IUPAC name of CID 135042228 (CID 135042228) is not available.
What is the SMILES notation for CID 135042228?
The canonical SMILES for CID 135042228 is Cc1ccc[c-]c1C1[CH-]C2CCC1C2.[Pd+2].
What is the InChIKey of CID 135042228?
The InChIKey is IOYYSWRHDLXIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16.Pd/c1-10-4-2-3-5-13(10)14-9-11-6-7-12(14)8-11;/h2-4,9,11-12,14H,6-8H2,1H3;/q-2;+2.
What are the key properties of CID 135042228?
CID 135042228 has a molecular weight of 290.70 g/mol, XLogP of 3.51, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 135042228 is sourced from PubChem (CID 135042228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).