CID 5483982

C6H11 — CID 5483982

IUPAC—
SMILES[CH]=CCCCC
InChIInChI=1S/C6H11/c1-3-5-6-4-2/h1,3H,4-6H2,2H3
InChIKeyZBTLGBQXUVJVRP-UHFFFAOYSA-N
MW83.15 g/mol
LogP2.17
Rot. Bonds3

About CID 5483982

CID 5483982 (PubChem CID 5483982) has the molecular formula C6H11 and a molecular weight of 83.15 g/mol.

Molecular Properties

Compound NameCID 5483982
PubChem CID5483982
Molecular FormulaC6H11
Molecular Weight83.15 g/mol
Exact Mass83.09
IUPAC Name—
SMILES[CH]=CCCCC
InChIInChI=1S/C6H11/c1-3-5-6-4-2/h1,3H,4-6H2,2H3
InChIKeyZBTLGBQXUVJVRP-UHFFFAOYSA-N
XLogP2.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50083.15
LogP ≤ 52.17
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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Frequently Asked Questions

What is the IUPAC name of CID 5483982?
The IUPAC name of CID 5483982 (CID 5483982) is not available.
What is the SMILES notation for CID 5483982?
The canonical SMILES for CID 5483982 is [CH]=CCCCC.
What is the InChIKey of CID 5483982?
The InChIKey is ZBTLGBQXUVJVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11/c1-3-5-6-4-2/h1,3H,4-6H2,2H3.
What are the key properties of CID 5483982?
CID 5483982 has a molecular weight of 83.15 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 5483982 is sourced from PubChem (CID 5483982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).