[(14Z)-14-hydroxyimino-1-tricyclo[6.6.0.02,7]tetradeca-2,4,6-trienyl] 2,2-dimethylpropanoate

C19H25NO3 — CID 5465577

IUPAC[(14Z)-14-hydroxyimino-1-tricyclo[6.6.0.02,7]tetradeca-2,4,6-trienyl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OC12/C(=N\O)CCCCCC1c1ccccc12
InChIInChI=1S/C19H25NO3/c1-18(2,3)17(21)23-19-14(13-9-7-8-11-15(13)19)10-5-4-6-12-16(19)20-22/h7-9,11,14,22H,4-6,10,12H2,1-3H3/b20-16-
InChIKeyFFIHQHHTIKBKEV-SILNSSARSA-N
MW315.41 g/mol
LogP4.36
Rot. Bonds1

About [(14Z)-14-hydroxyimino-1-tricyclo[6.6.0.02,7]tetradeca-2,4,6-trienyl] 2,2-dimethylpropanoate

[(14Z)-14-hydroxyimino-1-tricyclo[6.6.0.02,7]tetradeca-2,4,6-trienyl] 2,2-dimethylpropanoate (PubChem CID 5465577) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is [(14Z)-14-hydroxyimino-1-tricyclo[6.6.0.02,7]tetradeca-2,4,6-trienyl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(14Z)-14-hydroxyimino-1-tricyclo[6.6.0.02,7]tetradeca-2,4,6-trienyl] 2,2-dimethylpropanoate
PubChem CID5465577
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name[(14Z)-14-hydroxyimino-1-tricyclo[6.6.0.02,7]tetradeca-2,4,6-trienyl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OC12/C(=N\O)CCCCCC1c1ccccc12
InChIInChI=1S/C19H25NO3/c1-18(2,3)17(21)23-19-14(13-9-7-8-11-15(13)19)10-5-4-6-12-16(19)20-22/h7-9,11,14,22H,4-6,10,12H2,1-3H3/b20-16-
InChIKeyFFIHQHHTIKBKEV-SILNSSARSA-N
XLogP4.36
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 54.36
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 [(14Z)-14-hydroxyimino-1-tricyclo[6.6.0.02,7]tetradeca-2,4,6-trienyl] 2,2-dimethylpropanoate?
The IUPAC name of [(14Z)-14-hydroxyimino-1-tricyclo[6.6.0.02,7]tetradeca-2,4,6-trienyl] 2,2-dimethylpropanoate (CID 5465577) is [(14Z)-14-hydroxyimino-1-tricyclo[6.6.0.02,7]tetradeca-2,4,6-trienyl] 2,2-dimethylpropanoate.
What is the SMILES notation for [(14Z)-14-hydroxyimino-1-tricyclo[6.6.0.02,7]tetradeca-2,4,6-trienyl] 2,2-dimethylpropanoate?
The canonical SMILES for [(14Z)-14-hydroxyimino-1-tricyclo[6.6.0.02,7]tetradeca-2,4,6-trienyl] 2,2-dimethylpropanoate is CC(C)(C)C(=O)OC12/C(=N\O)CCCCCC1c1ccccc12.
What is the InChIKey of [(14Z)-14-hydroxyimino-1-tricyclo[6.6.0.02,7]tetradeca-2,4,6-trienyl] 2,2-dimethylpropanoate?
The InChIKey is FFIHQHHTIKBKEV-SILNSSARSA-N. The full InChI is InChI=1S/C19H25NO3/c1-18(2,3)17(21)23-19-14(13-9-7-8-11-15(13)19)10-5-4-6-12-16(19)20-22/h7-9,11,14,22H,4-6,10,12H2,1-3H3/b20-16-.
What are the key properties of [(14Z)-14-hydroxyimino-1-tricyclo[6.6.0.02,7]tetradeca-2,4,6-trienyl] 2,2-dimethylpropanoate?
[(14Z)-14-hydroxyimino-1-tricyclo[6.6.0.02,7]tetradeca-2,4,6-trienyl] 2,2-dimethylpropanoate has a molecular weight of 315.41 g/mol, XLogP of 4.36, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(14Z)-14-hydroxyimino-1-tricyclo[6.6.0.02,7]tetradeca-2,4,6-trienyl] 2,2-dimethylpropanoate is sourced from PubChem (CID 5465577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).