4-[(Z)-C-methyl-N-phenylmethoxycarbonimidoyl]heptan-4-ol

C16H25NO2 — CID 6510138

IUPAC4-[(Z)-C-methyl-N-phenylmethoxycarbonimidoyl]heptan-4-ol
SMILESCCCC(O)(CCC)/C(C)=N\OCc1ccccc1
InChIInChI=1S/C16H25NO2/c1-4-11-16(18,12-5-2)14(3)17-19-13-15-9-7-6-8-10-15/h6-10,18H,4-5,11-13H2,1-3H3/b17-14-
InChIKeyRAWMBDWHWUIOPU-VKAVYKQESA-N
MW263.38 g/mol
LogP3.91
Rot. Bonds8

About 4-[(Z)-C-methyl-N-phenylmethoxycarbonimidoyl]heptan-4-ol

4-[(Z)-C-methyl-N-phenylmethoxycarbonimidoyl]heptan-4-ol (PubChem CID 6510138) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-[(Z)-C-methyl-N-phenylmethoxycarbonimidoyl]heptan-4-ol.

Molecular Properties

Compound Name4-[(Z)-C-methyl-N-phenylmethoxycarbonimidoyl]heptan-4-ol
PubChem CID6510138
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name4-[(Z)-C-methyl-N-phenylmethoxycarbonimidoyl]heptan-4-ol
SMILESCCCC(O)(CCC)/C(C)=N\OCc1ccccc1
InChIInChI=1S/C16H25NO2/c1-4-11-16(18,12-5-2)14(3)17-19-13-15-9-7-6-8-10-15/h6-10,18H,4-5,11-13H2,1-3H3/b17-14-
InChIKeyRAWMBDWHWUIOPU-VKAVYKQESA-N
XLogP3.91
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(+-)-Benzoin oxime
CID 9924
Cupron
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2-Propanone, O-(phenylmethyl)oxime
CID 18803
2-Hydroxy-4-(hydroxyimino)-2-phenylpentanal oxime
CID 9571476
2-Propanone, (beta-hydroxyphenethyl)oxime
CID 3056709
(R)-2-Methylimino-1-phenylpropan-1-ol
CID 656502
2-(5-Phenyl-4,5-dihydro-3-isoxazolyl)-2-propanol
CID 2841581
5-methyl-5-phenyl-3-(3-phenylpropyl)-4H-1,2-oxazole
CID 11821988
5-Phenyl-3-(3-phenylpropyl)-4,5-dihydro-1,2-oxazole
CID 15445647
5-Phenyl-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole
CID 44585631
5-Methyl-3-phenethyl-5-phenyl-4,5-dihydroisoxazole (enantiomeric mix)
CID 46888698
(1Z)-2-Hydroxy-1,2-diphenylethanone oxime
CID 5359397

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-C-methyl-N-phenylmethoxycarbonimidoyl]heptan-4-ol?
The IUPAC name of 4-[(Z)-C-methyl-N-phenylmethoxycarbonimidoyl]heptan-4-ol (CID 6510138) is 4-[(Z)-C-methyl-N-phenylmethoxycarbonimidoyl]heptan-4-ol.
What is the SMILES notation for 4-[(Z)-C-methyl-N-phenylmethoxycarbonimidoyl]heptan-4-ol?
The canonical SMILES for 4-[(Z)-C-methyl-N-phenylmethoxycarbonimidoyl]heptan-4-ol is CCCC(O)(CCC)/C(C)=N\OCc1ccccc1.
What is the InChIKey of 4-[(Z)-C-methyl-N-phenylmethoxycarbonimidoyl]heptan-4-ol?
The InChIKey is RAWMBDWHWUIOPU-VKAVYKQESA-N. The full InChI is InChI=1S/C16H25NO2/c1-4-11-16(18,12-5-2)14(3)17-19-13-15-9-7-6-8-10-15/h6-10,18H,4-5,11-13H2,1-3H3/b17-14-.
What are the key properties of 4-[(Z)-C-methyl-N-phenylmethoxycarbonimidoyl]heptan-4-ol?
4-[(Z)-C-methyl-N-phenylmethoxycarbonimidoyl]heptan-4-ol has a molecular weight of 263.38 g/mol, XLogP of 3.91, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-C-methyl-N-phenylmethoxycarbonimidoyl]heptan-4-ol is sourced from PubChem (CID 6510138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).