CID 58608452

C6H10 — CID 58608452

IUPAC—
SMILES[CH]CCC(=C)C
InChIInChI=1S/C6H10/c1-4-5-6(2)3/h1H,2,4-5H2,3H3
InChIKeyIHFHBCUHOKGKFP-UHFFFAOYSA-N
MW82.15 g/mol
LogP2.05
Rot. Bonds2

About CID 58608452

CID 58608452 (PubChem CID 58608452) has the molecular formula C6H10 and a molecular weight of 82.15 g/mol.

Molecular Properties

Compound NameCID 58608452
PubChem CID58608452
Molecular FormulaC6H10
Molecular Weight82.15 g/mol
Exact Mass82.08
IUPAC Name—
SMILES[CH]CCC(=C)C
InChIInChI=1S/C6H10/c1-4-5-6(2)3/h1H,2,4-5H2,3H3
InChIKeyIHFHBCUHOKGKFP-UHFFFAOYSA-N
XLogP2.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50082.15
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 58608452?
The IUPAC name of CID 58608452 (CID 58608452) is not available.
What is the SMILES notation for CID 58608452?
The canonical SMILES for CID 58608452 is [CH]CCC(=C)C.
What is the InChIKey of CID 58608452?
The InChIKey is IHFHBCUHOKGKFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10/c1-4-5-6(2)3/h1H,2,4-5H2,3H3.
What are the key properties of CID 58608452?
CID 58608452 has a molecular weight of 82.15 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58608452 is sourced from PubChem (CID 58608452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).