(6S)-6-aminooxyheptane-1,1-diol

C7H17NO3 — CID 163412308

IUPAC(6S)-6-aminooxyheptane-1,1-diol
SMILESC[C@@H](CCCCC(O)O)ON
InChIInChI=1S/C7H17NO3/c1-6(11-8)4-2-3-5-7(9)10/h6-7,9-10H,2-5,8H2,1H3/t6-/m0/s1
InChIKeyABNJNNCUJNEUGO-LURJTMIESA-N
MW163.22 g/mol
LogP0.14
Rot. Bonds6

About (6S)-6-aminooxyheptane-1,1-diol

(6S)-6-aminooxyheptane-1,1-diol (PubChem CID 163412308) has the molecular formula C7H17NO3 and a molecular weight of 163.22 g/mol. Its IUPAC name is (6S)-6-aminooxyheptane-1,1-diol.

Molecular Properties

Compound Name(6S)-6-aminooxyheptane-1,1-diol
PubChem CID163412308
Molecular FormulaC7H17NO3
Molecular Weight163.22 g/mol
Exact Mass163.12
IUPAC Name(6S)-6-aminooxyheptane-1,1-diol
SMILESC[C@@H](CCCCC(O)O)ON
InChIInChI=1S/C7H17NO3/c1-6(11-8)4-2-3-5-7(9)10/h6-7,9-10H,2-5,8H2,1H3/t6-/m0/s1
InChIKeyABNJNNCUJNEUGO-LURJTMIESA-N
XLogP0.14
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

O-hexadecan-2-ylhydroxylamine
CID 18799052
sulfuric acid;O-tetradecan-2-ylhydroxylamine
CID 88818461
octane-1,1,8,8-tetrol
CID 88519685
6-methoxyhexane-1,1,6-triol
CID 155462430
7-(1-aminoethoxy)octan-2-ol
CID 123451124
methoxymethane;tridecane-1,1-diol
CID 18004105
4-propan-2-yloxybutane-1,1-diol
CID 87074397
heptane-1,1-diol;hexane-1,1-diol
CID 161393558
nonacosane-1,1-diol
CID 23066924
tetradecane-1,1-diol;tridecane-1,1-diol
CID 87487679
decane;dodecane-1,1-diol
CID 162011285
14-aminotetradecane-1,1-diol
CID 87370531

Frequently Asked Questions

What is the IUPAC name of (6S)-6-aminooxyheptane-1,1-diol?
The IUPAC name of (6S)-6-aminooxyheptane-1,1-diol (CID 163412308) is (6S)-6-aminooxyheptane-1,1-diol.
What is the SMILES notation for (6S)-6-aminooxyheptane-1,1-diol?
The canonical SMILES for (6S)-6-aminooxyheptane-1,1-diol is C[C@@H](CCCCC(O)O)ON.
What is the InChIKey of (6S)-6-aminooxyheptane-1,1-diol?
The InChIKey is ABNJNNCUJNEUGO-LURJTMIESA-N. The full InChI is InChI=1S/C7H17NO3/c1-6(11-8)4-2-3-5-7(9)10/h6-7,9-10H,2-5,8H2,1H3/t6-/m0/s1.
What are the key properties of (6S)-6-aminooxyheptane-1,1-diol?
(6S)-6-aminooxyheptane-1,1-diol has a molecular weight of 163.22 g/mol, XLogP of 0.14, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-aminooxyheptane-1,1-diol is sourced from PubChem (CID 163412308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).