CID 156644219

C15H22O2 — CID 156644219

IUPAC—
SMILESCC.CC(=O)/C=C1/C[CH]C2([C]=CCCO2)CC1
InChIInChI=1S/C13H16O2.C2H6/c1-11(14)10-12-4-7-13(8-5-12)6-2-3-9-15-13;1-2/h2,7,10H,3-5,8-9H2,1H3;1-2H3/b12-10-;
InChIKeyHDSDOEPECJRQSJ-BBJSDXRSSA-N
MW234.34 g/mol
LogP3.43
Rot. Bonds1

About CID 156644219

CID 156644219 (PubChem CID 156644219) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol.

Molecular Properties

Compound NameCID 156644219
PubChem CID156644219
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name—
SMILESCC.CC(=O)/C=C1/C[CH]C2([C]=CCCO2)CC1
InChIInChI=1S/C13H16O2.C2H6/c1-11(14)10-12-4-7-13(8-5-12)6-2-3-9-15-13;1-2/h2,7,10H,3-5,8-9H2,1H3;1-2H3/b12-10-;
InChIKeyHDSDOEPECJRQSJ-BBJSDXRSSA-N
XLogP3.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 156644219?
The IUPAC name of CID 156644219 (CID 156644219) is not available.
What is the SMILES notation for CID 156644219?
The canonical SMILES for CID 156644219 is CC.CC(=O)/C=C1/C[CH]C2([C]=CCCO2)CC1.
What is the InChIKey of CID 156644219?
The InChIKey is HDSDOEPECJRQSJ-BBJSDXRSSA-N. The full InChI is InChI=1S/C13H16O2.C2H6/c1-11(14)10-12-4-7-13(8-5-12)6-2-3-9-15-13;1-2/h2,7,10H,3-5,8-9H2,1H3;1-2H3/b12-10-;.
What are the key properties of CID 156644219?
CID 156644219 has a molecular weight of 234.34 g/mol, XLogP of 3.43, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 156644219 is sourced from PubChem (CID 156644219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).