propan-2-yl 2-hydroxyimino-5,5-dimethylhexanoate

C11H21NO3 — CID 73432737

IUPACpropan-2-yl 2-hydroxyimino-5,5-dimethylhexanoate
SMILESCC(C)OC(=O)C(CCC(C)(C)C)=NO
InChIInChI=1S/C11H21NO3/c1-8(2)15-10(13)9(12-14)6-7-11(3,4)5/h8,14H,6-7H2,1-5H3
InChIKeyZBSMSWKKYVLKQK-UHFFFAOYSA-N
MW215.29 g/mol
LogP2.59
Rot. Bonds4

About propan-2-yl 2-hydroxyimino-5,5-dimethylhexanoate

propan-2-yl 2-hydroxyimino-5,5-dimethylhexanoate (PubChem CID 73432737) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is propan-2-yl 2-hydroxyimino-5,5-dimethylhexanoate.

Molecular Properties

Compound Namepropan-2-yl 2-hydroxyimino-5,5-dimethylhexanoate
PubChem CID73432737
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Namepropan-2-yl 2-hydroxyimino-5,5-dimethylhexanoate
SMILESCC(C)OC(=O)C(CCC(C)(C)C)=NO
InChIInChI=1S/C11H21NO3/c1-8(2)15-10(13)9(12-14)6-7-11(3,4)5/h8,14H,6-7H2,1-5H3
InChIKeyZBSMSWKKYVLKQK-UHFFFAOYSA-N
XLogP2.59
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-hydroxyimino-5,5-dimethylhexanoate?
The IUPAC name of propan-2-yl 2-hydroxyimino-5,5-dimethylhexanoate (CID 73432737) is propan-2-yl 2-hydroxyimino-5,5-dimethylhexanoate.
What is the SMILES notation for propan-2-yl 2-hydroxyimino-5,5-dimethylhexanoate?
The canonical SMILES for propan-2-yl 2-hydroxyimino-5,5-dimethylhexanoate is CC(C)OC(=O)C(CCC(C)(C)C)=NO.
What is the InChIKey of propan-2-yl 2-hydroxyimino-5,5-dimethylhexanoate?
The InChIKey is ZBSMSWKKYVLKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-8(2)15-10(13)9(12-14)6-7-11(3,4)5/h8,14H,6-7H2,1-5H3.
What are the key properties of propan-2-yl 2-hydroxyimino-5,5-dimethylhexanoate?
propan-2-yl 2-hydroxyimino-5,5-dimethylhexanoate has a molecular weight of 215.29 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-hydroxyimino-5,5-dimethylhexanoate is sourced from PubChem (CID 73432737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).