CID 132915644

C15H21O — CID 132915644

IUPAC—
SMILESCCCCC[C](CC(C)=O)c1ccccc1
InChIInChI=1S/C15H21O/c1-3-4-6-11-15(12-13(2)16)14-9-7-5-8-10-14/h5,7-10H,3-4,6,11-12H2,1-2H3
InChIKeyZJHKNDNIXSSQFZ-UHFFFAOYSA-N
MW217.33 g/mol
LogP4.17
Rot. Bonds7

About CID 132915644

CID 132915644 (PubChem CID 132915644) has the molecular formula C15H21O and a molecular weight of 217.33 g/mol.

Molecular Properties

Compound NameCID 132915644
PubChem CID132915644
Molecular FormulaC15H21O
Molecular Weight217.33 g/mol
Exact Mass217.16
IUPAC Name—
SMILESCCCCC[C](CC(C)=O)c1ccccc1
InChIInChI=1S/C15H21O/c1-3-4-6-11-15(12-13(2)16)14-9-7-5-8-10-14/h5,7-10H,3-4,6,11-12H2,1-2H3
InChIKeyZJHKNDNIXSSQFZ-UHFFFAOYSA-N
XLogP4.17
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 174958584
bis(2-benzamidoacetic acid);heptanoic acid;hexanoic acid
CID 174051759
(2-methyl-1-phenylhept-1-enyl)benzene
CID 173231724
2-[hydroxy(phenyl)methylidene]heptanoic acid
CID 70376341

Frequently Asked Questions

What is the IUPAC name of CID 132915644?
The IUPAC name of CID 132915644 (CID 132915644) is not available.
What is the SMILES notation for CID 132915644?
The canonical SMILES for CID 132915644 is CCCCC[C](CC(C)=O)c1ccccc1.
What is the InChIKey of CID 132915644?
The InChIKey is ZJHKNDNIXSSQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21O/c1-3-4-6-11-15(12-13(2)16)14-9-7-5-8-10-14/h5,7-10H,3-4,6,11-12H2,1-2H3.
What are the key properties of CID 132915644?
CID 132915644 has a molecular weight of 217.33 g/mol, XLogP of 4.17, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 132915644 is sourced from PubChem (CID 132915644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).