(3R)-8-amino-3-ethoxy-5-methyloctane-1,2,8-triol

C11H25NO4 — CID 88979921

IUPAC(3R)-8-amino-3-ethoxy-5-methyloctane-1,2,8-triol
SMILESCCO[C@H](CC(C)CCC(N)O)C(O)CO
InChIInChI=1S/C11H25NO4/c1-3-16-10(9(14)7-13)6-8(2)4-5-11(12)15/h8-11,13-15H,3-7,12H2,1-2H3/t8?,9?,10-,11?/m1/s1
InChIKeyVJFOHUHWFUADRS-VEKQPKGLSA-N
MW235.32 g/mol
LogP-0.17
Rot. Bonds9

About (3R)-8-amino-3-ethoxy-5-methyloctane-1,2,8-triol

(3R)-8-amino-3-ethoxy-5-methyloctane-1,2,8-triol (PubChem CID 88979921) has the molecular formula C11H25NO4 and a molecular weight of 235.32 g/mol. Its IUPAC name is (3R)-8-amino-3-ethoxy-5-methyloctane-1,2,8-triol.

Molecular Properties

Compound Name(3R)-8-amino-3-ethoxy-5-methyloctane-1,2,8-triol
PubChem CID88979921
Molecular FormulaC11H25NO4
Molecular Weight235.32 g/mol
Exact Mass235.18
IUPAC Name(3R)-8-amino-3-ethoxy-5-methyloctane-1,2,8-triol
SMILESCCO[C@H](CC(C)CCC(N)O)C(O)CO
InChIInChI=1S/C11H25NO4/c1-3-16-10(9(14)7-13)6-8(2)4-5-11(12)15/h8-11,13-15H,3-7,12H2,1-2H3/t8?,9?,10-,11?/m1/s1
InChIKeyVJFOHUHWFUADRS-VEKQPKGLSA-N
XLogP-0.17
TPSA95.94 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.32
LogP ≤ 5-0.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(3R)-3-ethoxy-4,5-dihydroxypentanal
CID 88980061
(2R,5R)-5-amino-2-methylhexan-1-ol
CID 167005595
(1R,2S)-1-ethoxybutane-1,2,3,4-tetrol
CID 89316162
3-ethoxy-4-methylpentane-1,2-diol
CID 23384895
4-ethoxynonane-1,2,3-triol
CID 174961473
strontium;1-ethoxyethanol;hydride
CID 174472576
3-amino-3-ethoxypropan-1-ol
CID 88521290
ethanamine;1-ethoxyethanol
CID 20501270
1,1-diethoxyethane;methane;propane-1,2,3-triol
CID 90107522
3-propoxyhexane-1,2-diol
CID 90013661
CID 159597367
CID 159597367
(2R,3R)-3-aminobutane-1,2-diol
CID 14325608

Frequently Asked Questions

What is the IUPAC name of (3R)-8-amino-3-ethoxy-5-methyloctane-1,2,8-triol?
The IUPAC name of (3R)-8-amino-3-ethoxy-5-methyloctane-1,2,8-triol (CID 88979921) is (3R)-8-amino-3-ethoxy-5-methyloctane-1,2,8-triol.
What is the SMILES notation for (3R)-8-amino-3-ethoxy-5-methyloctane-1,2,8-triol?
The canonical SMILES for (3R)-8-amino-3-ethoxy-5-methyloctane-1,2,8-triol is CCO[C@H](CC(C)CCC(N)O)C(O)CO.
What is the InChIKey of (3R)-8-amino-3-ethoxy-5-methyloctane-1,2,8-triol?
The InChIKey is VJFOHUHWFUADRS-VEKQPKGLSA-N. The full InChI is InChI=1S/C11H25NO4/c1-3-16-10(9(14)7-13)6-8(2)4-5-11(12)15/h8-11,13-15H,3-7,12H2,1-2H3/t8?,9?,10-,11?/m1/s1.
What are the key properties of (3R)-8-amino-3-ethoxy-5-methyloctane-1,2,8-triol?
(3R)-8-amino-3-ethoxy-5-methyloctane-1,2,8-triol has a molecular weight of 235.32 g/mol, XLogP of -0.17, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-8-amino-3-ethoxy-5-methyloctane-1,2,8-triol is sourced from PubChem (CID 88979921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).