1-[(1-hydroxyimino-2,3-dihydroinden-4-yl)oxymethyl]cyclohexan-1-ol

C16H21NO3 — CID 77060370

IUPAC1-[(1-hydroxyimino-2,3-dihydroinden-4-yl)oxymethyl]cyclohexan-1-ol
SMILESON=C1CCc2c(OCC3(O)CCCCC3)cccc21
InChIInChI=1S/C16H21NO3/c18-16(9-2-1-3-10-16)11-20-15-6-4-5-12-13(15)7-8-14(12)17-19/h4-6,18-19H,1-3,7-11H2
InChIKeyJUAVXMGLOVAKNX-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.89
Rot. Bonds3

About 1-[(1-hydroxyimino-2,3-dihydroinden-4-yl)oxymethyl]cyclohexan-1-ol

1-[(1-hydroxyimino-2,3-dihydroinden-4-yl)oxymethyl]cyclohexan-1-ol (PubChem CID 77060370) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-[(1-hydroxyimino-2,3-dihydroinden-4-yl)oxymethyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(1-hydroxyimino-2,3-dihydroinden-4-yl)oxymethyl]cyclohexan-1-ol
PubChem CID77060370
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name1-[(1-hydroxyimino-2,3-dihydroinden-4-yl)oxymethyl]cyclohexan-1-ol
SMILESON=C1CCc2c(OCC3(O)CCCCC3)cccc21
InChIInChI=1S/C16H21NO3/c18-16(9-2-1-3-10-16)11-20-15-6-4-5-12-13(15)7-8-14(12)17-19/h4-6,18-19H,1-3,7-11H2
InChIKeyJUAVXMGLOVAKNX-UHFFFAOYSA-N
XLogP2.89
TPSA62.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.89
H-Bond Donors ≤ 52
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 1-[(1-hydroxyimino-2,3-dihydroinden-4-yl)oxymethyl]cyclohexan-1-ol?
The IUPAC name of 1-[(1-hydroxyimino-2,3-dihydroinden-4-yl)oxymethyl]cyclohexan-1-ol (CID 77060370) is 1-[(1-hydroxyimino-2,3-dihydroinden-4-yl)oxymethyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[(1-hydroxyimino-2,3-dihydroinden-4-yl)oxymethyl]cyclohexan-1-ol?
The canonical SMILES for 1-[(1-hydroxyimino-2,3-dihydroinden-4-yl)oxymethyl]cyclohexan-1-ol is ON=C1CCc2c(OCC3(O)CCCCC3)cccc21.
What is the InChIKey of 1-[(1-hydroxyimino-2,3-dihydroinden-4-yl)oxymethyl]cyclohexan-1-ol?
The InChIKey is JUAVXMGLOVAKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c18-16(9-2-1-3-10-16)11-20-15-6-4-5-12-13(15)7-8-14(12)17-19/h4-6,18-19H,1-3,7-11H2.
What are the key properties of 1-[(1-hydroxyimino-2,3-dihydroinden-4-yl)oxymethyl]cyclohexan-1-ol?
1-[(1-hydroxyimino-2,3-dihydroinden-4-yl)oxymethyl]cyclohexan-1-ol has a molecular weight of 275.35 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-hydroxyimino-2,3-dihydroinden-4-yl)oxymethyl]cyclohexan-1-ol is sourced from PubChem (CID 77060370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).