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

C16H33NO2 — CID 88690740

IUPAC(7E)-5,5-diethyl-7-hydroxyiminododecan-6-ol
SMILESCCCCC/C(=N\O)C(O)C(CC)(CC)CCCC
InChIInChI=1S/C16H33NO2/c1-5-9-11-12-14(17-19)15(18)16(7-3,8-4)13-10-6-2/h15,18-19H,5-13H2,1-4H3/b17-14+
InChIKeyRITPKYHMCWVIBC-SAPNQHFASA-N
MW271.44 g/mol
LogP4.75
Rot. Bonds11

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

(7E)-5,5-diethyl-7-hydroxyiminododecan-6-ol (PubChem CID 88690740) has the molecular formula C16H33NO2 and a molecular weight of 271.44 g/mol. Its IUPAC name is (7E)-5,5-diethyl-7-hydroxyiminododecan-6-ol.

Molecular Properties

Compound Name(7E)-5,5-diethyl-7-hydroxyiminododecan-6-ol
PubChem CID88690740
Molecular FormulaC16H33NO2
Molecular Weight271.44 g/mol
Exact Mass271.25
IUPAC Name(7E)-5,5-diethyl-7-hydroxyiminododecan-6-ol
SMILESCCCCC/C(=N\O)C(O)C(CC)(CC)CCCC
InChIInChI=1S/C16H33NO2/c1-5-9-11-12-14(17-19)15(18)16(7-3,8-4)13-10-6-2/h15,18-19H,5-13H2,1-4H3/b17-14+
InChIKeyRITPKYHMCWVIBC-SAPNQHFASA-N
XLogP4.75
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 ≤ 54.75
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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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
(7E)-1,1,1-trifluoro-7-methoxyimino-12-methylpentadecane-2,12-diol
CID 134183743
5,8-Diethyl-7-hydroxy-6-dodecanonoxime; 5,8-Diethyl-7-hydroxydodecan-6-oxime; 5,8-Diethyl-7-hydroxydodecane-6-oxime; LIX 63
CID 5371503
11-Hydroxynonacosan-10-one methyloxime
CID 129775765
Diethyl hydroxy dodecanone oxime
CID 129821308
(4R,5S)-5-butyl-3-tert-butyl-4,5-dihydro-1,2-oxazol-4-ol
CID 146018742
(6E)-6-hydroxyimino-2,9-dimethyldecan-5-ol
CID 22755117
(6E)-6-hydroxyimino-4,7-dimethyldecan-5-ol
CID 22755120
(5E)-3,6-diethyl-5-hydroxyiminooctan-4-ol
CID 22755126

Frequently Asked Questions

What is the IUPAC name of (7E)-5,5-diethyl-7-hydroxyiminododecan-6-ol?
The IUPAC name of (7E)-5,5-diethyl-7-hydroxyiminododecan-6-ol (CID 88690740) is (7E)-5,5-diethyl-7-hydroxyiminododecan-6-ol.
What is the SMILES notation for (7E)-5,5-diethyl-7-hydroxyiminododecan-6-ol?
The canonical SMILES for (7E)-5,5-diethyl-7-hydroxyiminododecan-6-ol is CCCCC/C(=N\O)C(O)C(CC)(CC)CCCC.
What is the InChIKey of (7E)-5,5-diethyl-7-hydroxyiminododecan-6-ol?
The InChIKey is RITPKYHMCWVIBC-SAPNQHFASA-N. The full InChI is InChI=1S/C16H33NO2/c1-5-9-11-12-14(17-19)15(18)16(7-3,8-4)13-10-6-2/h15,18-19H,5-13H2,1-4H3/b17-14+.
What are the key properties of (7E)-5,5-diethyl-7-hydroxyiminododecan-6-ol?
(7E)-5,5-diethyl-7-hydroxyiminododecan-6-ol has a molecular weight of 271.44 g/mol, XLogP of 4.75, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7E)-5,5-diethyl-7-hydroxyiminododecan-6-ol is sourced from PubChem (CID 88690740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).