2-hydroxyiminotetradecan-1-ol

C14H29NO2 — CID 154109458

IUPAC2-hydroxyiminotetradecan-1-ol
SMILESCCCCCCCCCCCCC(CO)=NO
InChIInChI=1S/C14H29NO2/c1-2-3-4-5-6-7-8-9-10-11-12-14(13-16)15-17/h16-17H,2-13H2,1H3
InChIKeyIBSXTQMHWKVCJT-UHFFFAOYSA-N
MW243.39 g/mol
LogP4.12
Rot. Bonds12

About 2-hydroxyiminotetradecan-1-ol

2-hydroxyiminotetradecan-1-ol (PubChem CID 154109458) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 2-hydroxyiminotetradecan-1-ol.

Molecular Properties

Compound Name2-hydroxyiminotetradecan-1-ol
PubChem CID154109458
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name2-hydroxyiminotetradecan-1-ol
SMILESCCCCCCCCCCCCC(CO)=NO
InChIInChI=1S/C14H29NO2/c1-2-3-4-5-6-7-8-9-10-11-12-14(13-16)15-17/h16-17H,2-13H2,1H3
InChIKeyIBSXTQMHWKVCJT-UHFFFAOYSA-N
XLogP4.12
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-hydroxyiminotetradecan-1-ol?
The IUPAC name of 2-hydroxyiminotetradecan-1-ol (CID 154109458) is 2-hydroxyiminotetradecan-1-ol.
What is the SMILES notation for 2-hydroxyiminotetradecan-1-ol?
The canonical SMILES for 2-hydroxyiminotetradecan-1-ol is CCCCCCCCCCCCC(CO)=NO.
What is the InChIKey of 2-hydroxyiminotetradecan-1-ol?
The InChIKey is IBSXTQMHWKVCJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-2-3-4-5-6-7-8-9-10-11-12-14(13-16)15-17/h16-17H,2-13H2,1H3.
What are the key properties of 2-hydroxyiminotetradecan-1-ol?
2-hydroxyiminotetradecan-1-ol has a molecular weight of 243.39 g/mol, XLogP of 4.12, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyiminotetradecan-1-ol is sourced from PubChem (CID 154109458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).