3-(3,3-dimethoxyazetidin-1-yl)-4-methylpentan-1-ol

C11H23NO3 — CID 106353557

IUPAC3-(3,3-dimethoxyazetidin-1-yl)-4-methylpentan-1-ol
SMILESCOC1(OC)CN(C(CCO)C(C)C)C1
InChIInChI=1S/C11H23NO3/c1-9(2)10(5-6-13)12-7-11(8-12,14-3)15-4/h9-10,13H,5-8H2,1-4H3
InChIKeyYKMUNOSSLKFIAT-UHFFFAOYSA-N
MW217.31 g/mol
LogP0.70
Rot. Bonds6

About 3-(3,3-dimethoxyazetidin-1-yl)-4-methylpentan-1-ol

3-(3,3-dimethoxyazetidin-1-yl)-4-methylpentan-1-ol (PubChem CID 106353557) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is 3-(3,3-dimethoxyazetidin-1-yl)-4-methylpentan-1-ol.

Molecular Properties

Compound Name3-(3,3-dimethoxyazetidin-1-yl)-4-methylpentan-1-ol
PubChem CID106353557
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name3-(3,3-dimethoxyazetidin-1-yl)-4-methylpentan-1-ol
SMILESCOC1(OC)CN(C(CCO)C(C)C)C1
InChIInChI=1S/C11H23NO3/c1-9(2)10(5-6-13)12-7-11(8-12,14-3)15-4/h9-10,13H,5-8H2,1-4H3
InChIKeyYKMUNOSSLKFIAT-UHFFFAOYSA-N
XLogP0.70
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3,3-dimethoxyazetidin-1-yl)-4-methylpentan-1-ol?
The IUPAC name of 3-(3,3-dimethoxyazetidin-1-yl)-4-methylpentan-1-ol (CID 106353557) is 3-(3,3-dimethoxyazetidin-1-yl)-4-methylpentan-1-ol.
What is the SMILES notation for 3-(3,3-dimethoxyazetidin-1-yl)-4-methylpentan-1-ol?
The canonical SMILES for 3-(3,3-dimethoxyazetidin-1-yl)-4-methylpentan-1-ol is COC1(OC)CN(C(CCO)C(C)C)C1.
What is the InChIKey of 3-(3,3-dimethoxyazetidin-1-yl)-4-methylpentan-1-ol?
The InChIKey is YKMUNOSSLKFIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-9(2)10(5-6-13)12-7-11(8-12,14-3)15-4/h9-10,13H,5-8H2,1-4H3.
What are the key properties of 3-(3,3-dimethoxyazetidin-1-yl)-4-methylpentan-1-ol?
3-(3,3-dimethoxyazetidin-1-yl)-4-methylpentan-1-ol has a molecular weight of 217.31 g/mol, XLogP of 0.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethoxyazetidin-1-yl)-4-methylpentan-1-ol is sourced from PubChem (CID 106353557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).