CID 126960901

C11H11O — CID 126960901

IUPAC—
SMILESO=C[C]1[CH][C]2[C]([CH]1)C1CCC2C1
InChIInChI=1S/C11H11O/c12-6-7-3-10-8-1-2-9(5-8)11(10)4-7/h3-4,6,8-9H,1-2,5H2
InChIKeySDOCXEYOIIHYQE-UHFFFAOYSA-N
MW159.21 g/mol
LogP1.76
Rot. Bonds1

About CID 126960901

CID 126960901 (PubChem CID 126960901) has the molecular formula C11H11O and a molecular weight of 159.21 g/mol.

Molecular Properties

Compound NameCID 126960901
PubChem CID126960901
Molecular FormulaC11H11O
Molecular Weight159.21 g/mol
Exact Mass159.08
IUPAC Name—
SMILESO=C[C]1[CH][C]2[C]([CH]1)C1CCC2C1
InChIInChI=1S/C11H11O/c12-6-7-3-10-8-1-2-9(5-8)11(10)4-7/h3-4,6,8-9H,1-2,5H2
InChIKeySDOCXEYOIIHYQE-UHFFFAOYSA-N
XLogP1.76
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.21
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 126960901?
The IUPAC name of CID 126960901 (CID 126960901) is not available.
What is the SMILES notation for CID 126960901?
The canonical SMILES for CID 126960901 is O=C[C]1[CH][C]2[C]([CH]1)C1CCC2C1.
What is the InChIKey of CID 126960901?
The InChIKey is SDOCXEYOIIHYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11O/c12-6-7-3-10-8-1-2-9(5-8)11(10)4-7/h3-4,6,8-9H,1-2,5H2.
What are the key properties of CID 126960901?
CID 126960901 has a molecular weight of 159.21 g/mol, XLogP of 1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 126960901 is sourced from PubChem (CID 126960901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).