(7E)-5,8-diethyl-7-hydroxyiminododecan-6-ol

C16H33NO2 — CID 5371503

IUPAC(7E)-5,8-diethyl-7-hydroxyiminododecan-6-ol
SMILESCCCCC(CC)/C(=N\O)C(O)C(CC)CCCC
InChIInChI=1S/C16H33NO2/c1-5-9-11-13(7-3)15(17-19)16(18)14(8-4)12-10-6-2/h13-14,16,18-19H,5-12H2,1-4H3/b17-15+
InChIKeySLCANKHLTWZHRV-BMRADRMJSA-N
MW271.44 g/mol
LogP4.61
Rot. Bonds11

About (7E)-5,8-diethyl-7-hydroxyiminododecan-6-ol

(7E)-5,8-diethyl-7-hydroxyiminododecan-6-ol (PubChem CID 5371503) has the molecular formula C16H33NO2 and a molecular weight of 271.44 g/mol. Its IUPAC name is (7E)-5,8-diethyl-7-hydroxyiminododecan-6-ol.

Molecular Properties

Compound Name(7E)-5,8-diethyl-7-hydroxyiminododecan-6-ol
PubChem CID5371503
Molecular FormulaC16H33NO2
Molecular Weight271.44 g/mol
Exact Mass271.25
IUPAC Name(7E)-5,8-diethyl-7-hydroxyiminododecan-6-ol
SMILESCCCCC(CC)/C(=N\O)C(O)C(CC)CCCC
InChIInChI=1S/C16H33NO2/c1-5-9-11-13(7-3)15(17-19)16(18)14(8-4)12-10-6-2/h13-14,16,18-19H,5-12H2,1-4H3/b17-15+
InChIKeySLCANKHLTWZHRV-BMRADRMJSA-N
XLogP4.61
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.44
LogP ≤ 54.61
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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Related Compounds

6-Dodecanone, 5,8-diethyl-7-hydroxy-, oxime
CID 5361049
5,8-Diethyl-7-hydroxydodecan-6-one oxime
CID 38274
5-Dodecanone, 6-butyl-6-hydroxy-, oxime
CID 90844
7-Butyl-7-hydroxydodecan-6-one oxime
CID 88328303
8-Diethyl-7-hydroxy-6-dodecanone oxime
CID 88690740
(7E)-1,1,1-trifluoro-7-methoxyimino-12-methylpentadecane-2,12-diol
CID 134183743
11-Hydroxynonacosan-10-one methyloxime
CID 129775765
Diethyl hydroxy dodecanone oxime
CID 129821308
(3Z)-2-butyl-3-hydroxyiminocyclohexan-1-ol
CID 134992670
1-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]cyclohexyl]ethanol
CID 133615818
8-[(E)-hydroxyiminomethyl]heptadecan-9-ol
CID 14671306
(6E)-6-hydroxyimino-2,9-dimethyldecan-5-ol
CID 22755117

Frequently Asked Questions

What is the IUPAC name of (7E)-5,8-diethyl-7-hydroxyiminododecan-6-ol?
The IUPAC name of (7E)-5,8-diethyl-7-hydroxyiminododecan-6-ol (CID 5371503) is (7E)-5,8-diethyl-7-hydroxyiminododecan-6-ol.
What is the SMILES notation for (7E)-5,8-diethyl-7-hydroxyiminododecan-6-ol?
The canonical SMILES for (7E)-5,8-diethyl-7-hydroxyiminododecan-6-ol is CCCCC(CC)/C(=N\O)C(O)C(CC)CCCC.
What is the InChIKey of (7E)-5,8-diethyl-7-hydroxyiminododecan-6-ol?
The InChIKey is SLCANKHLTWZHRV-BMRADRMJSA-N. The full InChI is InChI=1S/C16H33NO2/c1-5-9-11-13(7-3)15(17-19)16(18)14(8-4)12-10-6-2/h13-14,16,18-19H,5-12H2,1-4H3/b17-15+.
What are the key properties of (7E)-5,8-diethyl-7-hydroxyiminododecan-6-ol?
(7E)-5,8-diethyl-7-hydroxyiminododecan-6-ol has a molecular weight of 271.44 g/mol, XLogP of 4.61, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7E)-5,8-diethyl-7-hydroxyiminododecan-6-ol is sourced from PubChem (CID 5371503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).