CID 5484956

C30H61 — CID 5484956

IUPAC—
SMILES[CH2]CCCCCCCCCCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C30H61/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h1,3-30H2,2H3
InChIKeyLGWZGBCKVDSYPH-UHFFFAOYSA-N
MW421.82 g/mol
LogP11.76
Rot. Bonds27

About CID 5484956

CID 5484956 (PubChem CID 5484956) has the molecular formula C30H61 and a molecular weight of 421.82 g/mol.

Molecular Properties

Compound NameCID 5484956
PubChem CID5484956
Molecular FormulaC30H61
Molecular Weight421.82 g/mol
Exact Mass421.48
IUPAC Name—
SMILES[CH2]CCCCCCCCCCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C30H61/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h1,3-30H2,2H3
InChIKeyLGWZGBCKVDSYPH-UHFFFAOYSA-N
XLogP11.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds27
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.82
LogP ≤ 511.76
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

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CID 12960466
CID 5483478
CID 5483478
CID 170852910
CID 170852910
CID 101153421
CID 101153421
CID 101124027
CID 101124027
ethene;undecane
CID 161157037
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
dohexacontane
CID 522644
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649
henoctacontane
CID 22086342

Frequently Asked Questions

What is the IUPAC name of CID 5484956?
The IUPAC name of CID 5484956 (CID 5484956) is not available.
What is the SMILES notation for CID 5484956?
The canonical SMILES for CID 5484956 is [CH2]CCCCCCCCCCCCCCCCCCCCCCCCCCCCC.
What is the InChIKey of CID 5484956?
The InChIKey is LGWZGBCKVDSYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H61/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h1,3-30H2,2H3.
What are the key properties of CID 5484956?
CID 5484956 has a molecular weight of 421.82 g/mol, XLogP of 11.76, 27 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 5484956 is sourced from PubChem (CID 5484956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).