3-(3,3-dimethoxyazetidin-1-yl)propan-1-ol

C8H17NO3 — CID 104548999

IUPAC3-(3,3-dimethoxyazetidin-1-yl)propan-1-ol
SMILESCOC1(OC)CN(CCCO)C1
InChIInChI=1S/C8H17NO3/c1-11-8(12-2)6-9(7-8)4-3-5-10/h10H,3-7H2,1-2H3
InChIKeyMGPAYMDBXSAWSK-UHFFFAOYSA-N
MW175.23 g/mol
LogP-0.33
Rot. Bonds5

About 3-(3,3-dimethoxyazetidin-1-yl)propan-1-ol

3-(3,3-dimethoxyazetidin-1-yl)propan-1-ol (PubChem CID 104548999) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 3-(3,3-dimethoxyazetidin-1-yl)propan-1-ol.

Molecular Properties

Compound Name3-(3,3-dimethoxyazetidin-1-yl)propan-1-ol
PubChem CID104548999
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Name3-(3,3-dimethoxyazetidin-1-yl)propan-1-ol
SMILESCOC1(OC)CN(CCCO)C1
InChIInChI=1S/C8H17NO3/c1-11-8(12-2)6-9(7-8)4-3-5-10/h10H,3-7H2,1-2H3
InChIKeyMGPAYMDBXSAWSK-UHFFFAOYSA-N
XLogP-0.33
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 5-0.33
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)propan-1-ol?
The IUPAC name of 3-(3,3-dimethoxyazetidin-1-yl)propan-1-ol (CID 104548999) is 3-(3,3-dimethoxyazetidin-1-yl)propan-1-ol.
What is the SMILES notation for 3-(3,3-dimethoxyazetidin-1-yl)propan-1-ol?
The canonical SMILES for 3-(3,3-dimethoxyazetidin-1-yl)propan-1-ol is COC1(OC)CN(CCCO)C1.
What is the InChIKey of 3-(3,3-dimethoxyazetidin-1-yl)propan-1-ol?
The InChIKey is MGPAYMDBXSAWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3/c1-11-8(12-2)6-9(7-8)4-3-5-10/h10H,3-7H2,1-2H3.
What are the key properties of 3-(3,3-dimethoxyazetidin-1-yl)propan-1-ol?
3-(3,3-dimethoxyazetidin-1-yl)propan-1-ol has a molecular weight of 175.23 g/mol, XLogP of -0.33, 5 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)propan-1-ol is sourced from PubChem (CID 104548999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).