CID 59269448

C8H12 — CID 59269448

IUPAC—
SMILES[CH]C1CC=C(C)CC1
InChIInChI=1S/C8H12/c1-7-3-5-8(2)6-4-7/h1,5,7H,3-4,6H2,2H3
InChIKeyJHIUHZCVDFOCSD-UHFFFAOYSA-N
MW108.18 g/mol
LogP2.44
Rot. Bonds

About CID 59269448

CID 59269448 (PubChem CID 59269448) has the molecular formula C8H12 and a molecular weight of 108.18 g/mol.

Molecular Properties

Compound NameCID 59269448
PubChem CID59269448
Molecular FormulaC8H12
Molecular Weight108.18 g/mol
Exact Mass108.09
IUPAC Name—
SMILES[CH]C1CC=C(C)CC1
InChIInChI=1S/C8H12/c1-7-3-5-8(2)6-4-7/h1,5,7H,3-4,6H2,2H3
InChIKeyJHIUHZCVDFOCSD-UHFFFAOYSA-N
XLogP2.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
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 59269448?
The IUPAC name of CID 59269448 (CID 59269448) is not available.
What is the SMILES notation for CID 59269448?
The canonical SMILES for CID 59269448 is [CH]C1CC=C(C)CC1.
What is the InChIKey of CID 59269448?
The InChIKey is JHIUHZCVDFOCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12/c1-7-3-5-8(2)6-4-7/h1,5,7H,3-4,6H2,2H3.
What are the key properties of CID 59269448?
CID 59269448 has a molecular weight of 108.18 g/mol, XLogP of 2.44, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59269448 is sourced from PubChem (CID 59269448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).