CID 59303606

C8H12O — CID 59303606

IUPAC—
SMILES[CH]C(=O)C1CCCCC1
InChIInChI=1S/C8H12O/c1-7(9)8-5-3-2-4-6-8/h1,8H,2-6H2
InChIKeyUGCHEKFMBPFEEA-UHFFFAOYSA-N
MW124.18 g/mol
LogP1.85
Rot. Bonds1

About CID 59303606

CID 59303606 (PubChem CID 59303606) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol.

Molecular Properties

Compound NameCID 59303606
PubChem CID59303606
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name—
SMILES[CH]C(=O)C1CCCCC1
InChIInChI=1S/C8H12O/c1-7(9)8-5-3-2-4-6-8/h1,8H,2-6H2
InChIKeyUGCHEKFMBPFEEA-UHFFFAOYSA-N
XLogP1.85
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 59303606?
The IUPAC name of CID 59303606 (CID 59303606) is not available.
What is the SMILES notation for CID 59303606?
The canonical SMILES for CID 59303606 is [CH]C(=O)C1CCCCC1.
What is the InChIKey of CID 59303606?
The InChIKey is UGCHEKFMBPFEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O/c1-7(9)8-5-3-2-4-6-8/h1,8H,2-6H2.
What are the key properties of CID 59303606?
CID 59303606 has a molecular weight of 124.18 g/mol, XLogP of 1.85, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59303606 is sourced from PubChem (CID 59303606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).