CID 161246447

C12H26Pb — CID 161246447

IUPAC—
SMILESCCCCCCCCCCCC.[Pb]
InChIInChI=1S/C12H26.Pb/c1-3-5-7-9-11-12-10-8-6-4-2;/h3-12H2,1-2H3;
InChIKeyVARVRPHDRYRMBV-UHFFFAOYSA-N
MW377.54 g/mol
LogP4.55
Rot. Bonds9

About CID 161246447

CID 161246447 (PubChem CID 161246447) has the molecular formula C12H26Pb and a molecular weight of 377.54 g/mol.

Molecular Properties

Compound NameCID 161246447
PubChem CID161246447
Molecular FormulaC12H26Pb
Molecular Weight377.54 g/mol
Exact Mass378.18
IUPAC Name—
SMILESCCCCCCCCCCCC.[Pb]
InChIInChI=1S/C12H26.Pb/c1-3-5-7-9-11-12-10-8-6-4-2;/h3-12H2,1-2H3;
InChIKeyVARVRPHDRYRMBV-UHFFFAOYSA-N
XLogP4.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.54
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

dohexacontane
CID 522644
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
decane;heptane
CID 159049036
henoctacontane
CID 22086342
triacontane
CID 12535
dictane
CID 19848341
heptahectane
CID 123338944
dopentacontahectane
CID 23391374
(1,2,3,4,5,6,7,8,9,10,11,12-13C12)dodecane
CID 71309250

Frequently Asked Questions

What is the IUPAC name of CID 161246447?
The IUPAC name of CID 161246447 (CID 161246447) is not available.
What is the SMILES notation for CID 161246447?
The canonical SMILES for CID 161246447 is CCCCCCCCCCCC.[Pb].
What is the InChIKey of CID 161246447?
The InChIKey is VARVRPHDRYRMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26.Pb/c1-3-5-7-9-11-12-10-8-6-4-2;/h3-12H2,1-2H3;.
What are the key properties of CID 161246447?
CID 161246447 has a molecular weight of 377.54 g/mol, XLogP of 4.55, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 161246447 is sourced from PubChem (CID 161246447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).