CID 59269437

C10H14O2 — CID 59269437

IUPAC—
SMILES[CH]CCC1COC(C=C)(C=C)O1
InChIInChI=1S/C10H14O2/c1-4-7-9-8-11-10(5-2,6-3)12-9/h1,5-6,9H,2-4,7-8H2
InChIKeyMIRRLDKSCVZXJH-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.96
Rot. Bonds4

About CID 59269437

CID 59269437 (PubChem CID 59269437) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol.

Molecular Properties

Compound NameCID 59269437
PubChem CID59269437
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name—
SMILES[CH]CCC1COC(C=C)(C=C)O1
InChIInChI=1S/C10H14O2/c1-4-7-9-8-11-10(5-2,6-3)12-9/h1,5-6,9H,2-4,7-8H2
InChIKeyMIRRLDKSCVZXJH-UHFFFAOYSA-N
XLogP1.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 59269437?
The IUPAC name of CID 59269437 (CID 59269437) is not available.
What is the SMILES notation for CID 59269437?
The canonical SMILES for CID 59269437 is [CH]CCC1COC(C=C)(C=C)O1.
What is the InChIKey of CID 59269437?
The InChIKey is MIRRLDKSCVZXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-4-7-9-8-11-10(5-2,6-3)12-9/h1,5-6,9H,2-4,7-8H2.
What are the key properties of CID 59269437?
CID 59269437 has a molecular weight of 166.22 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59269437 is sourced from PubChem (CID 59269437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).