CID 5483478

C28H57 — CID 5483478

IUPAC—
SMILES[CH2]CCCCCCCCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C28H57/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h1,3-28H2,2H3
InChIKeyFZCPCESDIHVHSL-UHFFFAOYSA-N
MW393.76 g/mol
LogP10.98
Rot. Bonds25

About CID 5483478

CID 5483478 (PubChem CID 5483478) has the molecular formula C28H57 and a molecular weight of 393.76 g/mol.

Molecular Properties

Compound NameCID 5483478
PubChem CID5483478
Molecular FormulaC28H57
Molecular Weight393.76 g/mol
Exact Mass393.45
IUPAC Name—
SMILES[CH2]CCCCCCCCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C28H57/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h1,3-28H2,2H3
InChIKeyFZCPCESDIHVHSL-UHFFFAOYSA-N
XLogP10.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds25
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.76
LogP ≤ 510.98
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

CID 12960466
CID 12960466
CID 5484956
CID 5484956
CID 170852910
CID 170852910
CID 101153421
CID 101153421
CID 101124027
CID 101124027
ethene;undecane
CID 161157037
(1,2,3,4,5,6,7,8,9,10,11,12-13C12)dodecane
CID 71309250
dodecane;pentadecane
CID 162065772
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782

Frequently Asked Questions

What is the IUPAC name of CID 5483478?
The IUPAC name of CID 5483478 (CID 5483478) is not available.
What is the SMILES notation for CID 5483478?
The canonical SMILES for CID 5483478 is [CH2]CCCCCCCCCCCCCCCCCCCCCCCCCCC.
What is the InChIKey of CID 5483478?
The InChIKey is FZCPCESDIHVHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H57/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h1,3-28H2,2H3.
What are the key properties of CID 5483478?
CID 5483478 has a molecular weight of 393.76 g/mol, XLogP of 10.98, 25 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 5483478 is sourced from PubChem (CID 5483478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).