4-(dimethylamino)-6-methyl-2-[(2-methylpropan-2-yl)oxy]oxan-3-ol

C12H25NO3 — CID 67952449

IUPAC4-(dimethylamino)-6-methyl-2-[(2-methylpropan-2-yl)oxy]oxan-3-ol
SMILESCC1CC(N(C)C)C(O)C(OC(C)(C)C)O1
InChIInChI=1S/C12H25NO3/c1-8-7-9(13(5)6)10(14)11(15-8)16-12(2,3)4/h8-11,14H,7H2,1-6H3
InChIKeyMZXHJLZFVCKBCM-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.23
Rot. Bonds2

About 4-(dimethylamino)-6-methyl-2-[(2-methylpropan-2-yl)oxy]oxan-3-ol

4-(dimethylamino)-6-methyl-2-[(2-methylpropan-2-yl)oxy]oxan-3-ol (PubChem CID 67952449) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 4-(dimethylamino)-6-methyl-2-[(2-methylpropan-2-yl)oxy]oxan-3-ol.

Molecular Properties

Compound Name4-(dimethylamino)-6-methyl-2-[(2-methylpropan-2-yl)oxy]oxan-3-ol
PubChem CID67952449
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Name4-(dimethylamino)-6-methyl-2-[(2-methylpropan-2-yl)oxy]oxan-3-ol
SMILESCC1CC(N(C)C)C(O)C(OC(C)(C)C)O1
InChIInChI=1S/C12H25NO3/c1-8-7-9(13(5)6)10(14)11(15-8)16-12(2,3)4/h8-11,14H,7H2,1-6H3
InChIKeyMZXHJLZFVCKBCM-UHFFFAOYSA-N
XLogP1.23
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(dimethylamino)-6-methyl-2-[(2-methylpropan-2-yl)oxy]oxan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R,4S,6R)-3-methoxy-N,N,6-trimethyl-2-[(2-methylpropan-2-yl)oxy]oxan-4-amine
CID 165025782
(2R,3S,6R)-4-(dimethylamino)-6-methyloxane-2,3-diol
CID 89217462
(6R)-4-(dimethylamino)-2-(6-hydroxycyclotridecyl)oxy-6-methyloxan-3-ol
CID 67068127
4-(dimethylamino)-6-methyl-2-(2-methylbutan-2-yl)oxan-3-ol
CID 167098136
(2R,3R,4S,6R)-4-(dimethylamino)-2-(3-hydroxypent-4-ynoxy)-6-methyloxan-3-ol
CID 86668339
(2S,3R,4R,5S,6R)-2-methyl-6-[(2-methylpropan-2-yl)oxy]oxane-3,4,5-triol
CID 158611097
[(3R,4S,6R)-4-(dimethylamino)-2-hydroxy-6-methyloxan-3-yl] hypoiodite
CID 134302754
[(3R)-4-(dimethylamino)-2-iodooxy-6-methyloxan-3-yl] acetate
CID 145284278
4-(dimethylamino)-6-methyl-2-pyren-1-yloxyoxan-3-ol
CID 86668318
(2R,3R,4S,6R)-4-(dimethylamino)-3-methoxy-6-methyloxan-2-ol;ethane
CID 145399800
(2S,4S,5R,6R)-4-(dimethylamino)-6-methyloxane-2,5-diol
CID 57130951
(2S,4R,5R,6S)-4-(dimethylamino)-6-methyloxane-2,5-diol
CID 90658743

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-6-methyl-2-[(2-methylpropan-2-yl)oxy]oxan-3-ol?
The IUPAC name of 4-(dimethylamino)-6-methyl-2-[(2-methylpropan-2-yl)oxy]oxan-3-ol (CID 67952449) is 4-(dimethylamino)-6-methyl-2-[(2-methylpropan-2-yl)oxy]oxan-3-ol.
What is the SMILES notation for 4-(dimethylamino)-6-methyl-2-[(2-methylpropan-2-yl)oxy]oxan-3-ol?
The canonical SMILES for 4-(dimethylamino)-6-methyl-2-[(2-methylpropan-2-yl)oxy]oxan-3-ol is CC1CC(N(C)C)C(O)C(OC(C)(C)C)O1.
What is the InChIKey of 4-(dimethylamino)-6-methyl-2-[(2-methylpropan-2-yl)oxy]oxan-3-ol?
The InChIKey is MZXHJLZFVCKBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-8-7-9(13(5)6)10(14)11(15-8)16-12(2,3)4/h8-11,14H,7H2,1-6H3.
What are the key properties of 4-(dimethylamino)-6-methyl-2-[(2-methylpropan-2-yl)oxy]oxan-3-ol?
4-(dimethylamino)-6-methyl-2-[(2-methylpropan-2-yl)oxy]oxan-3-ol has a molecular weight of 231.34 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-6-methyl-2-[(2-methylpropan-2-yl)oxy]oxan-3-ol is sourced from PubChem (CID 67952449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).