3-[(3-tert-butylazetidin-1-yl)methyl]oxolan-3-ol

C12H23NO2 — CID 106103014

IUPAC3-[(3-tert-butylazetidin-1-yl)methyl]oxolan-3-ol
SMILESCC(C)(C)C1CN(CC2(O)CCOC2)C1
InChIInChI=1S/C12H23NO2/c1-11(2,3)10-6-13(7-10)8-12(14)4-5-15-9-12/h10,14H,4-9H2,1-3H3
InChIKeyVTZWOSNQCBQNNJ-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.12
Rot. Bonds2

About 3-[(3-tert-butylazetidin-1-yl)methyl]oxolan-3-ol

3-[(3-tert-butylazetidin-1-yl)methyl]oxolan-3-ol (PubChem CID 106103014) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 3-[(3-tert-butylazetidin-1-yl)methyl]oxolan-3-ol.

Molecular Properties

Compound Name3-[(3-tert-butylazetidin-1-yl)methyl]oxolan-3-ol
PubChem CID106103014
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name3-[(3-tert-butylazetidin-1-yl)methyl]oxolan-3-ol
SMILESCC(C)(C)C1CN(CC2(O)CCOC2)C1
InChIInChI=1S/C12H23NO2/c1-11(2,3)10-6-13(7-10)8-12(14)4-5-15-9-12/h10,14H,4-9H2,1-3H3
InChIKeyVTZWOSNQCBQNNJ-UHFFFAOYSA-N
XLogP1.12
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-tert-butylazetidin-1-yl)methyl]oxolan-3-ol?
The IUPAC name of 3-[(3-tert-butylazetidin-1-yl)methyl]oxolan-3-ol (CID 106103014) is 3-[(3-tert-butylazetidin-1-yl)methyl]oxolan-3-ol.
What is the SMILES notation for 3-[(3-tert-butylazetidin-1-yl)methyl]oxolan-3-ol?
The canonical SMILES for 3-[(3-tert-butylazetidin-1-yl)methyl]oxolan-3-ol is CC(C)(C)C1CN(CC2(O)CCOC2)C1.
What is the InChIKey of 3-[(3-tert-butylazetidin-1-yl)methyl]oxolan-3-ol?
The InChIKey is VTZWOSNQCBQNNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-11(2,3)10-6-13(7-10)8-12(14)4-5-15-9-12/h10,14H,4-9H2,1-3H3.
What are the key properties of 3-[(3-tert-butylazetidin-1-yl)methyl]oxolan-3-ol?
3-[(3-tert-butylazetidin-1-yl)methyl]oxolan-3-ol has a molecular weight of 213.32 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-tert-butylazetidin-1-yl)methyl]oxolan-3-ol is sourced from PubChem (CID 106103014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).