(7Z)-12-ethyl-7-hydroxyiminotetradecan-6-ol

C16H33NO2 — CID 22789039

IUPAC(7Z)-12-ethyl-7-hydroxyiminotetradecan-6-ol
SMILESCCCCCC(O)/C(CCCCC(CC)CC)=N\O
InChIInChI=1S/C16H33NO2/c1-4-7-8-13-16(18)15(17-19)12-10-9-11-14(5-2)6-3/h14,16,18-19H,4-13H2,1-3H3/b17-15-
InChIKeyLTNIYUYNHBRHFI-ICFOKQHNSA-N
MW271.44 g/mol
LogP4.75
Rot. Bonds12

About (7Z)-12-ethyl-7-hydroxyiminotetradecan-6-ol

(7Z)-12-ethyl-7-hydroxyiminotetradecan-6-ol (PubChem CID 22789039) has the molecular formula C16H33NO2 and a molecular weight of 271.44 g/mol. Its IUPAC name is (7Z)-12-ethyl-7-hydroxyiminotetradecan-6-ol.

Molecular Properties

Compound Name(7Z)-12-ethyl-7-hydroxyiminotetradecan-6-ol
PubChem CID22789039
Molecular FormulaC16H33NO2
Molecular Weight271.44 g/mol
Exact Mass271.25
IUPAC Name(7Z)-12-ethyl-7-hydroxyiminotetradecan-6-ol
SMILESCCCCCC(O)/C(CCCCC(CC)CC)=N\O
InChIInChI=1S/C16H33NO2/c1-4-7-8-13-16(18)15(17-19)12-10-9-11-14(5-2)6-3/h14,16,18-19H,4-13H2,1-3H3/b17-15-
InChIKeyLTNIYUYNHBRHFI-ICFOKQHNSA-N
XLogP4.75
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
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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Frequently Asked Questions

What is the IUPAC name of (7Z)-12-ethyl-7-hydroxyiminotetradecan-6-ol?
The IUPAC name of (7Z)-12-ethyl-7-hydroxyiminotetradecan-6-ol (CID 22789039) is (7Z)-12-ethyl-7-hydroxyiminotetradecan-6-ol.
What is the SMILES notation for (7Z)-12-ethyl-7-hydroxyiminotetradecan-6-ol?
The canonical SMILES for (7Z)-12-ethyl-7-hydroxyiminotetradecan-6-ol is CCCCCC(O)/C(CCCCC(CC)CC)=N\O.
What is the InChIKey of (7Z)-12-ethyl-7-hydroxyiminotetradecan-6-ol?
The InChIKey is LTNIYUYNHBRHFI-ICFOKQHNSA-N. The full InChI is InChI=1S/C16H33NO2/c1-4-7-8-13-16(18)15(17-19)12-10-9-11-14(5-2)6-3/h14,16,18-19H,4-13H2,1-3H3/b17-15-.
What are the key properties of (7Z)-12-ethyl-7-hydroxyiminotetradecan-6-ol?
(7Z)-12-ethyl-7-hydroxyiminotetradecan-6-ol has a molecular weight of 271.44 g/mol, XLogP of 4.75, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z)-12-ethyl-7-hydroxyiminotetradecan-6-ol is sourced from PubChem (CID 22789039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).