(2R,4S,6R)-4-(dimethylamino)-2-hydroxy-6-methyloxane-3-carbaldehyde

C9H17NO3 — CID 142966665

IUPAC(2R,4S,6R)-4-(dimethylamino)-2-hydroxy-6-methyloxane-3-carbaldehyde
SMILESC[C@@H]1C[C@H](N(C)C)C(C=O)[C@H](O)O1
InChIInChI=1S/C9H17NO3/c1-6-4-8(10(2)3)7(5-11)9(12)13-6/h5-9,12H,4H2,1-3H3/t6-,7?,8+,9-/m1/s1
InChIKeyRSNDNNSXEHOOKA-PKDUTCDESA-N
MW187.24 g/mol
LogP-0.14
Rot. Bonds2

About (2R,4S,6R)-4-(dimethylamino)-2-hydroxy-6-methyloxane-3-carbaldehyde

(2R,4S,6R)-4-(dimethylamino)-2-hydroxy-6-methyloxane-3-carbaldehyde (PubChem CID 142966665) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is (2R,4S,6R)-4-(dimethylamino)-2-hydroxy-6-methyloxane-3-carbaldehyde.

Molecular Properties

Compound Name(2R,4S,6R)-4-(dimethylamino)-2-hydroxy-6-methyloxane-3-carbaldehyde
PubChem CID142966665
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name(2R,4S,6R)-4-(dimethylamino)-2-hydroxy-6-methyloxane-3-carbaldehyde
SMILESC[C@@H]1C[C@H](N(C)C)C(C=O)[C@H](O)O1
InChIInChI=1S/C9H17NO3/c1-6-4-8(10(2)3)7(5-11)9(12)13-6/h5-9,12H,4H2,1-3H3/t6-,7?,8+,9-/m1/s1
InChIKeyRSNDNNSXEHOOKA-PKDUTCDESA-N
XLogP-0.14
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R,3S,6R)-4-(dimethylamino)-6-methyloxane-2,3-diol
CID 89217462
[(3R,4S,6R)-4-(dimethylamino)-2-hydroxy-6-methyloxan-3-yl] hypoiodite
CID 134302754
(2R,3R,4S,6R)-4-(dimethylamino)-3-methoxy-6-methyloxan-2-ol;ethane
CID 145399800
(3R,4S,6R)-N,N,2,3,6-pentamethyloxan-4-amine
CID 143366374
(3R,4S,6R)-4-(dimethylamino)-6-methyloxan-3-ol
CID 14139769
(3S)-4-(dimethylamino)-6-methyloxan-3-ol
CID 89038501
4-(dimethylamino)-6-methyl-2-[(2-methylpropan-2-yl)oxy]oxan-3-ol
CID 67952449
N,N,3-trimethyl-2,7,8-trioxabicyclo[4.2.0]octan-5-amine
CID 144781805
4-(dimethylamino)-6-methyl-2-(2-methylbutan-2-yl)oxan-3-ol
CID 167098136
2-[(2,5-dimethyloxolan-3-yl)-methylamino]-2-methylpropanal
CID 130820242
(6R)-4-(dimethylamino)-2-(6-hydroxycyclotridecyl)oxy-6-methyloxan-3-ol
CID 67068127
(2R,3R,4S,6S)-6-methyloxane-2,3,4-triol
CID 26966621

Frequently Asked Questions

What is the IUPAC name of (2R,4S,6R)-4-(dimethylamino)-2-hydroxy-6-methyloxane-3-carbaldehyde?
The IUPAC name of (2R,4S,6R)-4-(dimethylamino)-2-hydroxy-6-methyloxane-3-carbaldehyde (CID 142966665) is (2R,4S,6R)-4-(dimethylamino)-2-hydroxy-6-methyloxane-3-carbaldehyde.
What is the SMILES notation for (2R,4S,6R)-4-(dimethylamino)-2-hydroxy-6-methyloxane-3-carbaldehyde?
The canonical SMILES for (2R,4S,6R)-4-(dimethylamino)-2-hydroxy-6-methyloxane-3-carbaldehyde is C[C@@H]1C[C@H](N(C)C)C(C=O)[C@H](O)O1.
What is the InChIKey of (2R,4S,6R)-4-(dimethylamino)-2-hydroxy-6-methyloxane-3-carbaldehyde?
The InChIKey is RSNDNNSXEHOOKA-PKDUTCDESA-N. The full InChI is InChI=1S/C9H17NO3/c1-6-4-8(10(2)3)7(5-11)9(12)13-6/h5-9,12H,4H2,1-3H3/t6-,7?,8+,9-/m1/s1.
What are the key properties of (2R,4S,6R)-4-(dimethylamino)-2-hydroxy-6-methyloxane-3-carbaldehyde?
(2R,4S,6R)-4-(dimethylamino)-2-hydroxy-6-methyloxane-3-carbaldehyde has a molecular weight of 187.24 g/mol, XLogP of -0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,6R)-4-(dimethylamino)-2-hydroxy-6-methyloxane-3-carbaldehyde is sourced from PubChem (CID 142966665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).