trans-(1R,3R)-2-imino-5-(oxan-2-yloxy)cyclohexane-1,3-diol

C11H19NO4 — CID 89143909

IUPACtrans-(1R,3R)-2-imino-5-(oxan-2-yloxy)cyclohexane-1,3-diol
SMILES[H]N=C1[C@H](O)CC(OC2CCCCO2)C[C@H]1O
InChIInChI=1S/C11H19NO4/c12-11-8(13)5-7(6-9(11)14)16-10-3-1-2-4-15-10/h7-10,12-14H,1-6H2/b12-11-/t7?,8-,9-,10?/m1/s1
InChIKeyHSONSKBYFPJPBK-DKMMKKAJSA-N
MW229.28 g/mol
LogP0.43
Rot. Bonds2

About trans-(1R,3R)-2-imino-5-(oxan-2-yloxy)cyclohexane-1,3-diol

trans-(1R,3R)-2-imino-5-(oxan-2-yloxy)cyclohexane-1,3-diol (PubChem CID 89143909) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is trans-(1R,3R)-2-imino-5-(oxan-2-yloxy)cyclohexane-1,3-diol.

Molecular Properties

Compound Nametrans-(1R,3R)-2-imino-5-(oxan-2-yloxy)cyclohexane-1,3-diol
PubChem CID89143909
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Nametrans-(1R,3R)-2-imino-5-(oxan-2-yloxy)cyclohexane-1,3-diol
SMILES[H]N=C1[C@H](O)CC(OC2CCCCO2)C[C@H]1O
InChIInChI=1S/C11H19NO4/c12-11-8(13)5-7(6-9(11)14)16-10-3-1-2-4-15-10/h7-10,12-14H,1-6H2/b12-11-/t7?,8-,9-,10?/m1/s1
InChIKeyHSONSKBYFPJPBK-DKMMKKAJSA-N
XLogP0.43
TPSA82.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze trans-(1R,3R)-2-imino-5-(oxan-2-yloxy)cyclohexane-1,3-diol with MolForge

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Related Compounds

3-(oxan-2-yloxy)cyclobutan-1-ol
CID 155584587
2-cycloheptyloxyoxane
CID 11735764
2-(oxetan-3-yloxy)oxane
CID 54083112
2-(4-methylidenecyclohexyl)oxyoxane
CID 15349885
2-(oxan-2-yloxy)cyclopentan-1-ol
CID 86732994
(1R)-4-(oxan-2-yloxy)cyclopent-2-en-1-ol
CID 67582967
(1S,4S)-4-(oxan-2-yloxy)cyclopent-2-en-1-ol
CID 10986966
trans-(1R,2R)-2-[(2S)-oxan-2-yl]oxycyclopropan-1-amine
CID 124784404
cis-(1S,2R)-2-[(2S)-oxan-2-yl]oxycyclopropan-1-amine
CID 86316698
(4S)-4-(oxan-2-yloxy)oxolan-2-one
CID 139705709
cyclohexyl-[4-(oxan-2-yloxy)cyclohexyl]methanone
CID 140522461
3-[[3-[(2R)-oxan-2-yl]oxycyclobutyl]methyl]aniline
CID 163957805

Frequently Asked Questions

What is the IUPAC name of trans-(1R,3R)-2-imino-5-(oxan-2-yloxy)cyclohexane-1,3-diol?
The IUPAC name of trans-(1R,3R)-2-imino-5-(oxan-2-yloxy)cyclohexane-1,3-diol (CID 89143909) is trans-(1R,3R)-2-imino-5-(oxan-2-yloxy)cyclohexane-1,3-diol.
What is the SMILES notation for trans-(1R,3R)-2-imino-5-(oxan-2-yloxy)cyclohexane-1,3-diol?
The canonical SMILES for trans-(1R,3R)-2-imino-5-(oxan-2-yloxy)cyclohexane-1,3-diol is [H]N=C1[C@H](O)CC(OC2CCCCO2)C[C@H]1O.
What is the InChIKey of trans-(1R,3R)-2-imino-5-(oxan-2-yloxy)cyclohexane-1,3-diol?
The InChIKey is HSONSKBYFPJPBK-DKMMKKAJSA-N. The full InChI is InChI=1S/C11H19NO4/c12-11-8(13)5-7(6-9(11)14)16-10-3-1-2-4-15-10/h7-10,12-14H,1-6H2/b12-11-/t7?,8-,9-,10?/m1/s1.
What are the key properties of trans-(1R,3R)-2-imino-5-(oxan-2-yloxy)cyclohexane-1,3-diol?
trans-(1R,3R)-2-imino-5-(oxan-2-yloxy)cyclohexane-1,3-diol has a molecular weight of 229.28 g/mol, XLogP of 0.43, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3R)-2-imino-5-(oxan-2-yloxy)cyclohexane-1,3-diol is sourced from PubChem (CID 89143909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).