CID 175745189

C20H41ClPb — CID 175745189

IUPAC—
SMILESCC(C)CCCC(C)CCCC(C)CCCC(C)CCCl.[Pb]
InChIInChI=1S/C20H41Cl.Pb/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21;/h17-20H,6-16H2,1-5H3;
InChIKeyPJIROIZETQHQEU-UHFFFAOYSA-N
MW524.20 g/mol
LogP7.31
Rot. Bonds14

About CID 175745189

CID 175745189 (PubChem CID 175745189) has the molecular formula C20H41ClPb and a molecular weight of 524.20 g/mol.

Molecular Properties

Compound NameCID 175745189
PubChem CID175745189
Molecular FormulaC20H41ClPb
Molecular Weight524.20 g/mol
Exact Mass524.27
IUPAC Name—
SMILESCC(C)CCCC(C)CCCC(C)CCCC(C)CCCl.[Pb]
InChIInChI=1S/C20H41Cl.Pb/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21;/h17-20H,6-16H2,1-5H3;
InChIKeyPJIROIZETQHQEU-UHFFFAOYSA-N
XLogP7.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.20
LogP ≤ 57.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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2,9,13-trimethylhexadecane
CID 123827297
2,6-dimethylicosane
CID 54262109
2,6,13-trimethylpentadecane
CID 123742386
2,6-dimethyltriacontane
CID 526581
2,6-dimethyltridecane
CID 524061
2,4,10,15,19,23-hexamethyltetracosane
CID 71327414
1,7-dichloro-4-methylheptane
CID 175347315
1-chloro-3,7-dimethyloctane;8-chloro-2,6-dimethyloct-2-ene;molecular hydrogen;nickel;zinc
CID 157230765
2,6,10,14,18,22,26-heptamethyloctacosane
CID 6428605

Frequently Asked Questions

What is the IUPAC name of CID 175745189?
The IUPAC name of CID 175745189 (CID 175745189) is not available.
What is the SMILES notation for CID 175745189?
The canonical SMILES for CID 175745189 is CC(C)CCCC(C)CCCC(C)CCCC(C)CCCl.[Pb].
What is the InChIKey of CID 175745189?
The InChIKey is PJIROIZETQHQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41Cl.Pb/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21;/h17-20H,6-16H2,1-5H3;.
What are the key properties of CID 175745189?
CID 175745189 has a molecular weight of 524.20 g/mol, XLogP of 7.31, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175745189 is sourced from PubChem (CID 175745189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).