(4E,5R,9S,10S)-10-butyl-4-hydroxyiminospiro[4.5]decan-9-ol

C14H25NO2 — CID 134852422

IUPAC(4E,5R,9S,10S)-10-butyl-4-hydroxyiminospiro[4.5]decan-9-ol
SMILESCCCC[C@@H]1[C@@H](O)CCC[C@]12CCC/C2=N\O
InChIInChI=1S/C14H25NO2/c1-2-3-6-11-12(16)7-4-9-14(11)10-5-8-13(14)15-17/h11-12,16-17H,2-10H2,1H3/b15-13+/t11-,12+,14+/m1/s1
InChIKeyOEWINPPEPMAEEY-RITGRWPESA-N
MW239.36 g/mol
LogP3.34
Rot. Bonds3

About (4E,5R,9S,10S)-10-butyl-4-hydroxyiminospiro[4.5]decan-9-ol

(4E,5R,9S,10S)-10-butyl-4-hydroxyiminospiro[4.5]decan-9-ol (PubChem CID 134852422) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is (4E,5R,9S,10S)-10-butyl-4-hydroxyiminospiro[4.5]decan-9-ol.

Molecular Properties

Compound Name(4E,5R,9S,10S)-10-butyl-4-hydroxyiminospiro[4.5]decan-9-ol
PubChem CID134852422
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name(4E,5R,9S,10S)-10-butyl-4-hydroxyiminospiro[4.5]decan-9-ol
SMILESCCCC[C@@H]1[C@@H](O)CCC[C@]12CCC/C2=N\O
InChIInChI=1S/C14H25NO2/c1-2-3-6-11-12(16)7-4-9-14(11)10-5-8-13(14)15-17/h11-12,16-17H,2-10H2,1H3/b15-13+/t11-,12+,14+/m1/s1
InChIKeyOEWINPPEPMAEEY-RITGRWPESA-N
XLogP3.34
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.34
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 (4E,5R,9S,10S)-10-butyl-4-hydroxyiminospiro[4.5]decan-9-ol?
The IUPAC name of (4E,5R,9S,10S)-10-butyl-4-hydroxyiminospiro[4.5]decan-9-ol (CID 134852422) is (4E,5R,9S,10S)-10-butyl-4-hydroxyiminospiro[4.5]decan-9-ol.
What is the SMILES notation for (4E,5R,9S,10S)-10-butyl-4-hydroxyiminospiro[4.5]decan-9-ol?
The canonical SMILES for (4E,5R,9S,10S)-10-butyl-4-hydroxyiminospiro[4.5]decan-9-ol is CCCC[C@@H]1[C@@H](O)CCC[C@]12CCC/C2=N\O.
What is the InChIKey of (4E,5R,9S,10S)-10-butyl-4-hydroxyiminospiro[4.5]decan-9-ol?
The InChIKey is OEWINPPEPMAEEY-RITGRWPESA-N. The full InChI is InChI=1S/C14H25NO2/c1-2-3-6-11-12(16)7-4-9-14(11)10-5-8-13(14)15-17/h11-12,16-17H,2-10H2,1H3/b15-13+/t11-,12+,14+/m1/s1.
What are the key properties of (4E,5R,9S,10S)-10-butyl-4-hydroxyiminospiro[4.5]decan-9-ol?
(4E,5R,9S,10S)-10-butyl-4-hydroxyiminospiro[4.5]decan-9-ol has a molecular weight of 239.36 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5R,9S,10S)-10-butyl-4-hydroxyiminospiro[4.5]decan-9-ol is sourced from PubChem (CID 134852422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).