2-[(2-hydroxyiminocyclooctyl)methyl]cyclooctan-1-one

C17H29NO2 — CID 163859267

IUPAC2-[(2-hydroxyiminocyclooctyl)methyl]cyclooctan-1-one
SMILESO=C1CCCCCCC1CC1CCCCCCC1=NO
InChIInChI=1S/C17H29NO2/c19-17-12-8-4-2-6-10-15(17)13-14-9-5-1-3-7-11-16(14)18-20/h14-15,20H,1-13H2
InChIKeyPBBMHFWJLNNUQR-UHFFFAOYSA-N
MW279.42 g/mol
LogP4.72
Rot. Bonds2

About 2-[(2-hydroxyiminocyclooctyl)methyl]cyclooctan-1-one

2-[(2-hydroxyiminocyclooctyl)methyl]cyclooctan-1-one (PubChem CID 163859267) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 2-[(2-hydroxyiminocyclooctyl)methyl]cyclooctan-1-one.

Molecular Properties

Compound Name2-[(2-hydroxyiminocyclooctyl)methyl]cyclooctan-1-one
PubChem CID163859267
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name2-[(2-hydroxyiminocyclooctyl)methyl]cyclooctan-1-one
SMILESO=C1CCCCCCC1CC1CCCCCCC1=NO
InChIInChI=1S/C17H29NO2/c19-17-12-8-4-2-6-10-15(17)13-14-9-5-1-3-7-11-16(14)18-20/h14-15,20H,1-13H2
InChIKeyPBBMHFWJLNNUQR-UHFFFAOYSA-N
XLogP4.72
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-[(2-hydroxyiminocyclooctyl)methyl]cyclooctan-1-one?
The IUPAC name of 2-[(2-hydroxyiminocyclooctyl)methyl]cyclooctan-1-one (CID 163859267) is 2-[(2-hydroxyiminocyclooctyl)methyl]cyclooctan-1-one.
What is the SMILES notation for 2-[(2-hydroxyiminocyclooctyl)methyl]cyclooctan-1-one?
The canonical SMILES for 2-[(2-hydroxyiminocyclooctyl)methyl]cyclooctan-1-one is O=C1CCCCCCC1CC1CCCCCCC1=NO.
What is the InChIKey of 2-[(2-hydroxyiminocyclooctyl)methyl]cyclooctan-1-one?
The InChIKey is PBBMHFWJLNNUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c19-17-12-8-4-2-6-10-15(17)13-14-9-5-1-3-7-11-16(14)18-20/h14-15,20H,1-13H2.
What are the key properties of 2-[(2-hydroxyiminocyclooctyl)methyl]cyclooctan-1-one?
2-[(2-hydroxyiminocyclooctyl)methyl]cyclooctan-1-one has a molecular weight of 279.42 g/mol, XLogP of 4.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxyiminocyclooctyl)methyl]cyclooctan-1-one is sourced from PubChem (CID 163859267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).