(4R)-4-[4-[cyclohexyl(hydroxy)methyl]phenyl]-1-hexylazetidin-2-one;yttrium

C22H32NO2Y- — CID 59207911

IUPAC(4R)-4-[4-[cyclohexyl(hydroxy)methyl]phenyl]-1-hexylazetidin-2-one;yttrium
SMILES[CH2-]CCCCCN1C(=O)C[C@@H]1c1ccc(C(O)C2CCCCC2)cc1.[Y]
InChIInChI=1S/C22H32NO2.Y/c1-2-3-4-8-15-23-20(16-21(23)24)17-11-13-19(14-12-17)22(25)18-9-6-5-7-10-18;/h11-14,18,20,22,25H,1-10,15-16H2;/q-1;/t20-,22?;/m1./s1
InChIKeyIQVLHPBAMJUXGD-DWUQZJAVSA-N
MW431.41 g/mol
LogP4.97
Rot. Bonds8

About (4R)-4-[4-[cyclohexyl(hydroxy)methyl]phenyl]-1-hexylazetidin-2-one;yttrium

(4R)-4-[4-[cyclohexyl(hydroxy)methyl]phenyl]-1-hexylazetidin-2-one;yttrium (PubChem CID 59207911) has the molecular formula C22H32NO2Y- and a molecular weight of 431.41 g/mol. Its IUPAC name is (4R)-4-[4-[cyclohexyl(hydroxy)methyl]phenyl]-1-hexylazetidin-2-one;yttrium.

Molecular Properties

Compound Name(4R)-4-[4-[cyclohexyl(hydroxy)methyl]phenyl]-1-hexylazetidin-2-one;yttrium
PubChem CID59207911
Molecular FormulaC22H32NO2Y-
Molecular Weight431.41 g/mol
Exact Mass431.15
IUPAC Name(4R)-4-[4-[cyclohexyl(hydroxy)methyl]phenyl]-1-hexylazetidin-2-one;yttrium
SMILES[CH2-]CCCCCN1C(=O)C[C@@H]1c1ccc(C(O)C2CCCCC2)cc1.[Y]
InChIInChI=1S/C22H32NO2.Y/c1-2-3-4-8-15-23-20(16-21(23)24)17-11-13-19(14-12-17)22(25)18-9-6-5-7-10-18;/h11-14,18,20,22,25H,1-10,15-16H2;/q-1;/t20-,22?;/m1./s1
InChIKeyIQVLHPBAMJUXGD-DWUQZJAVSA-N
XLogP4.97
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.41
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[4-[cyclohexyl(hydroxy)methyl]phenyl]-1-hexylazetidin-2-one;yttrium?
The IUPAC name of (4R)-4-[4-[cyclohexyl(hydroxy)methyl]phenyl]-1-hexylazetidin-2-one;yttrium (CID 59207911) is (4R)-4-[4-[cyclohexyl(hydroxy)methyl]phenyl]-1-hexylazetidin-2-one;yttrium.
What is the SMILES notation for (4R)-4-[4-[cyclohexyl(hydroxy)methyl]phenyl]-1-hexylazetidin-2-one;yttrium?
The canonical SMILES for (4R)-4-[4-[cyclohexyl(hydroxy)methyl]phenyl]-1-hexylazetidin-2-one;yttrium is [CH2-]CCCCCN1C(=O)C[C@@H]1c1ccc(C(O)C2CCCCC2)cc1.[Y].
What is the InChIKey of (4R)-4-[4-[cyclohexyl(hydroxy)methyl]phenyl]-1-hexylazetidin-2-one;yttrium?
The InChIKey is IQVLHPBAMJUXGD-DWUQZJAVSA-N. The full InChI is InChI=1S/C22H32NO2.Y/c1-2-3-4-8-15-23-20(16-21(23)24)17-11-13-19(14-12-17)22(25)18-9-6-5-7-10-18;/h11-14,18,20,22,25H,1-10,15-16H2;/q-1;/t20-,22?;/m1./s1.
What are the key properties of (4R)-4-[4-[cyclohexyl(hydroxy)methyl]phenyl]-1-hexylazetidin-2-one;yttrium?
(4R)-4-[4-[cyclohexyl(hydroxy)methyl]phenyl]-1-hexylazetidin-2-one;yttrium has a molecular weight of 431.41 g/mol, XLogP of 4.97, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[4-[cyclohexyl(hydroxy)methyl]phenyl]-1-hexylazetidin-2-one;yttrium is sourced from PubChem (CID 59207911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).