(6R,8Z)-8-hydroxyimino-2,6-dimethyloctan-2-ol

C10H21NO2 — CID 98575417

IUPAC(6R,8Z)-8-hydroxyimino-2,6-dimethyloctan-2-ol
SMILESC[C@@H](C/C=N\O)CCCC(C)(C)O
InChIInChI=1S/C10H21NO2/c1-9(6-8-11-13)5-4-7-10(2,3)12/h8-9,12-13H,4-7H2,1-3H3/b11-8-/t9-/m1/s1
InChIKeyIFWXPWFBBKIGIM-LZUGORFDSA-N
MW187.28 g/mol
LogP2.41
Rot. Bonds6

About (6R,8Z)-8-hydroxyimino-2,6-dimethyloctan-2-ol

(6R,8Z)-8-hydroxyimino-2,6-dimethyloctan-2-ol (PubChem CID 98575417) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is (6R,8Z)-8-hydroxyimino-2,6-dimethyloctan-2-ol.

Molecular Properties

Compound Name(6R,8Z)-8-hydroxyimino-2,6-dimethyloctan-2-ol
PubChem CID98575417
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name(6R,8Z)-8-hydroxyimino-2,6-dimethyloctan-2-ol
SMILESC[C@@H](C/C=N\O)CCCC(C)(C)O
InChIInChI=1S/C10H21NO2/c1-9(6-8-11-13)5-4-7-10(2,3)12/h8-9,12-13H,4-7H2,1-3H3/b11-8-/t9-/m1/s1
InChIKeyIFWXPWFBBKIGIM-LZUGORFDSA-N
XLogP2.41
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 52.41
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

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CID 154162071
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(NE)-N-(5-cyclopentyl-3-methylpentylidene)hydroxylamine
CID 18433861
9-amino-2,6-dimethylnonan-2-ol
CID 55254540
2,8-dimethyldecan-2-ol
CID 122367233
9-hydroxy-5,9-dimethyldecanoic acid
CID 170558406
(1S,3R)-1,7-dihydroxy-3,7-dimethyloctane-1-sulfonate
CID 2027692
2,6-dimethyl-9-nitrodecane-2,8-diol
CID 11770747
sodium 1,7-dihydroxy-3,7-dimethyloctane-1-sulfonate
CID 24797624
3-(hydroxymethyl)-7,11,15-trimethylhexadec-2-ene-1,15-diol
CID 78200754
3-(4-ethylphenyl)-2,2-dimethylpropanenitrile;7-hydroxy-3,7-dimethyloctanal
CID 158492050
2-amino-5,9-dimethyldecane-1,9-diol;hydrochloride
CID 170893103

Frequently Asked Questions

What is the IUPAC name of (6R,8Z)-8-hydroxyimino-2,6-dimethyloctan-2-ol?
The IUPAC name of (6R,8Z)-8-hydroxyimino-2,6-dimethyloctan-2-ol (CID 98575417) is (6R,8Z)-8-hydroxyimino-2,6-dimethyloctan-2-ol.
What is the SMILES notation for (6R,8Z)-8-hydroxyimino-2,6-dimethyloctan-2-ol?
The canonical SMILES for (6R,8Z)-8-hydroxyimino-2,6-dimethyloctan-2-ol is C[C@@H](C/C=N\O)CCCC(C)(C)O.
What is the InChIKey of (6R,8Z)-8-hydroxyimino-2,6-dimethyloctan-2-ol?
The InChIKey is IFWXPWFBBKIGIM-LZUGORFDSA-N. The full InChI is InChI=1S/C10H21NO2/c1-9(6-8-11-13)5-4-7-10(2,3)12/h8-9,12-13H,4-7H2,1-3H3/b11-8-/t9-/m1/s1.
What are the key properties of (6R,8Z)-8-hydroxyimino-2,6-dimethyloctan-2-ol?
(6R,8Z)-8-hydroxyimino-2,6-dimethyloctan-2-ol has a molecular weight of 187.28 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,8Z)-8-hydroxyimino-2,6-dimethyloctan-2-ol is sourced from PubChem (CID 98575417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).