(6R)-4-(dimethylamino)-6-methyloxan-2-ol;ethane;prop-2-en-1-ol

C13H29NO3 — CID 143853511

IUPAC(6R)-4-(dimethylamino)-6-methyloxan-2-ol;ethane;prop-2-en-1-ol
SMILESC=CCO.CC.C[C@@H]1CC(N(C)C)CC(O)O1
InChIInChI=1S/C8H17NO2.C3H6O.C2H6/c1-6-4-7(9(2)3)5-8(10)11-6;1-2-3-4;1-2/h6-8,10H,4-5H2,1-3H3;2,4H,1,3H2;1-2H3/t6-,7?,8?;;/m1../s1
InChIKeyWTCJDKQUMLPDCU-YOBDIHPQSA-N
MW247.38 g/mol
LogP1.62
Rot. Bonds2

About (6R)-4-(dimethylamino)-6-methyloxan-2-ol;ethane;prop-2-en-1-ol

(6R)-4-(dimethylamino)-6-methyloxan-2-ol;ethane;prop-2-en-1-ol (PubChem CID 143853511) has the molecular formula C13H29NO3 and a molecular weight of 247.38 g/mol. Its IUPAC name is (6R)-4-(dimethylamino)-6-methyloxan-2-ol;ethane;prop-2-en-1-ol.

Molecular Properties

Compound Name(6R)-4-(dimethylamino)-6-methyloxan-2-ol;ethane;prop-2-en-1-ol
PubChem CID143853511
Molecular FormulaC13H29NO3
Molecular Weight247.38 g/mol
Exact Mass247.21
IUPAC Name(6R)-4-(dimethylamino)-6-methyloxan-2-ol;ethane;prop-2-en-1-ol
SMILESC=CCO.CC.C[C@@H]1CC(N(C)C)CC(O)O1
InChIInChI=1S/C8H17NO2.C3H6O.C2H6/c1-6-4-7(9(2)3)5-8(10)11-6;1-2-3-4;1-2/h6-8,10H,4-5H2,1-3H3;2,4H,1,3H2;1-2H3/t6-,7?,8?;;/m1../s1
InChIKeyWTCJDKQUMLPDCU-YOBDIHPQSA-N
XLogP1.62
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6R)-4-(dimethylamino)-6-methyloxan-2-ol;ethane;prop-2-en-1-ol?
The IUPAC name of (6R)-4-(dimethylamino)-6-methyloxan-2-ol;ethane;prop-2-en-1-ol (CID 143853511) is (6R)-4-(dimethylamino)-6-methyloxan-2-ol;ethane;prop-2-en-1-ol.
What is the SMILES notation for (6R)-4-(dimethylamino)-6-methyloxan-2-ol;ethane;prop-2-en-1-ol?
The canonical SMILES for (6R)-4-(dimethylamino)-6-methyloxan-2-ol;ethane;prop-2-en-1-ol is C=CCO.CC.C[C@@H]1CC(N(C)C)CC(O)O1.
What is the InChIKey of (6R)-4-(dimethylamino)-6-methyloxan-2-ol;ethane;prop-2-en-1-ol?
The InChIKey is WTCJDKQUMLPDCU-YOBDIHPQSA-N. The full InChI is InChI=1S/C8H17NO2.C3H6O.C2H6/c1-6-4-7(9(2)3)5-8(10)11-6;1-2-3-4;1-2/h6-8,10H,4-5H2,1-3H3;2,4H,1,3H2;1-2H3/t6-,7?,8?;;/m1../s1.
What are the key properties of (6R)-4-(dimethylamino)-6-methyloxan-2-ol;ethane;prop-2-en-1-ol?
(6R)-4-(dimethylamino)-6-methyloxan-2-ol;ethane;prop-2-en-1-ol has a molecular weight of 247.38 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-4-(dimethylamino)-6-methyloxan-2-ol;ethane;prop-2-en-1-ol is sourced from PubChem (CID 143853511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).