CID 134925951

C28H45TeZr — CID 134925951

IUPAC—
SMILESC[C]1[C](C)[C](C)[C](C)[C]1C.C[C]1[C](C)[C](C)[C](C)[C]1C.[2H]C(C[Te])CCC=C(C)C.[Zr]
InChIInChI=1S/2C10H15.C8H15Te.Zr/c2*1-6-7(2)9(4)10(5)8(6)3;1-8(2)6-4-3-5-7-9;/h2*1-5H3;6H,3-5,7H2,1-2H3;/i;;5D;
InChIKeyHHJCVNBEIZJOIF-GZHMIDSRSA-N
MW601.50 g/mol
LogP8.65
Rot. Bonds4

About CID 134925951

CID 134925951 (PubChem CID 134925951) has the molecular formula C28H45TeZr and a molecular weight of 601.50 g/mol.

Molecular Properties

Compound NameCID 134925951
PubChem CID134925951
Molecular FormulaC28H45TeZr
Molecular Weight601.50 g/mol
Exact Mass602.17
IUPAC Name—
SMILESC[C]1[C](C)[C](C)[C](C)[C]1C.C[C]1[C](C)[C](C)[C](C)[C]1C.[2H]C(C[Te])CCC=C(C)C.[Zr]
InChIInChI=1S/2C10H15.C8H15Te.Zr/c2*1-6-7(2)9(4)10(5)8(6)3;1-8(2)6-4-3-5-7-9;/h2*1-5H3;6H,3-5,7H2,1-2H3;/i;;5D;
InChIKeyHHJCVNBEIZJOIF-GZHMIDSRSA-N
XLogP8.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.50
LogP ≤ 58.65
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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Related Compounds

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CID 58662859
2-methylhenicos-2-ene;dihydrobromide
CID 175068359
6-methoxy-2-methylhex-2-ene
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4-methyl-3-(5-methylhex-4-enyl)phenol
CID 53361663
N,5-dimethylhex-4-en-1-amine;ethane
CID 145111229
2,8-dimethylnona-2,7-dienenitrile
CID 162785101
3-methyl-4-(7-methyloct-6-enyl)pyridazine
CID 166909771
(2E)-1-chloro-1-deuterio-3,7-dimethylocta-2,6-diene
CID 10535222
(4E,8E)-5,9,13-trimethyltetradeca-4,8,12-trien-1-ol
CID 5362831

Frequently Asked Questions

What is the IUPAC name of CID 134925951?
The IUPAC name of CID 134925951 (CID 134925951) is not available.
What is the SMILES notation for CID 134925951?
The canonical SMILES for CID 134925951 is C[C]1[C](C)[C](C)[C](C)[C]1C.C[C]1[C](C)[C](C)[C](C)[C]1C.[2H]C(C[Te])CCC=C(C)C.[Zr].
What is the InChIKey of CID 134925951?
The InChIKey is HHJCVNBEIZJOIF-GZHMIDSRSA-N. The full InChI is InChI=1S/2C10H15.C8H15Te.Zr/c2*1-6-7(2)9(4)10(5)8(6)3;1-8(2)6-4-3-5-7-9;/h2*1-5H3;6H,3-5,7H2,1-2H3;/i;;5D;.
What are the key properties of CID 134925951?
CID 134925951 has a molecular weight of 601.50 g/mol, XLogP of 8.65, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134925951 is sourced from PubChem (CID 134925951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).