CID 59269409

C8H12 — CID 59269409

IUPAC—
SMILES[CH]CC1C=CCCC1
InChIInChI=1S/C8H12/c1-2-8-6-4-3-5-7-8/h1,4,6,8H,2-3,5,7H2
InChIKeyJGUNCYKVYSNYCW-UHFFFAOYSA-N
MW108.18 g/mol
LogP2.44
Rot. Bonds1

About CID 59269409

CID 59269409 (PubChem CID 59269409) has the molecular formula C8H12 and a molecular weight of 108.18 g/mol.

Molecular Properties

Compound NameCID 59269409
PubChem CID59269409
Molecular FormulaC8H12
Molecular Weight108.18 g/mol
Exact Mass108.09
IUPAC Name—
SMILES[CH]CC1C=CCCC1
InChIInChI=1S/C8H12/c1-2-8-6-4-3-5-7-8/h1,4,6,8H,2-3,5,7H2
InChIKeyJGUNCYKVYSNYCW-UHFFFAOYSA-N
XLogP2.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.18
LogP ≤ 52.44
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 59269409?
The IUPAC name of CID 59269409 (CID 59269409) is not available.
What is the SMILES notation for CID 59269409?
The canonical SMILES for CID 59269409 is [CH]CC1C=CCCC1.
What is the InChIKey of CID 59269409?
The InChIKey is JGUNCYKVYSNYCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12/c1-2-8-6-4-3-5-7-8/h1,4,6,8H,2-3,5,7H2.
What are the key properties of CID 59269409?
CID 59269409 has a molecular weight of 108.18 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59269409 is sourced from PubChem (CID 59269409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).