3,6-diethyl-5-hydroxyiminodecan-4-ol

C14H29NO2 — CID 88836202

IUPAC3,6-diethyl-5-hydroxyiminodecan-4-ol
SMILESCCCCC(CC)C(=NO)C(O)C(CC)CC
InChIInChI=1S/C14H29NO2/c1-5-9-10-12(8-4)13(15-17)14(16)11(6-2)7-3/h11-12,14,16-17H,5-10H2,1-4H3
InChIKeyFDAUIQDQIYGPMR-UHFFFAOYSA-N
MW243.39 g/mol
LogP3.83
Rot. Bonds9

About 3,6-diethyl-5-hydroxyiminodecan-4-ol

3,6-diethyl-5-hydroxyiminodecan-4-ol (PubChem CID 88836202) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 3,6-diethyl-5-hydroxyiminodecan-4-ol.

Molecular Properties

Compound Name3,6-diethyl-5-hydroxyiminodecan-4-ol
PubChem CID88836202
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name3,6-diethyl-5-hydroxyiminodecan-4-ol
SMILESCCCCC(CC)C(=NO)C(O)C(CC)CC
InChIInChI=1S/C14H29NO2/c1-5-9-10-12(8-4)13(15-17)14(16)11(6-2)7-3/h11-12,14,16-17H,5-10H2,1-4H3
InChIKeyFDAUIQDQIYGPMR-UHFFFAOYSA-N
XLogP3.83
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 53.83
H-Bond Donors ≤ 52
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 3,6-diethyl-5-hydroxyiminodecan-4-ol?
The IUPAC name of 3,6-diethyl-5-hydroxyiminodecan-4-ol (CID 88836202) is 3,6-diethyl-5-hydroxyiminodecan-4-ol.
What is the SMILES notation for 3,6-diethyl-5-hydroxyiminodecan-4-ol?
The canonical SMILES for 3,6-diethyl-5-hydroxyiminodecan-4-ol is CCCCC(CC)C(=NO)C(O)C(CC)CC.
What is the InChIKey of 3,6-diethyl-5-hydroxyiminodecan-4-ol?
The InChIKey is FDAUIQDQIYGPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-5-9-10-12(8-4)13(15-17)14(16)11(6-2)7-3/h11-12,14,16-17H,5-10H2,1-4H3.
What are the key properties of 3,6-diethyl-5-hydroxyiminodecan-4-ol?
3,6-diethyl-5-hydroxyiminodecan-4-ol has a molecular weight of 243.39 g/mol, XLogP of 3.83, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diethyl-5-hydroxyiminodecan-4-ol is sourced from PubChem (CID 88836202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).