[1-(1,3-dioxan-2-ylmethyl)azetidin-3-yl]methanol

C9H17NO3 — CID 102849788

IUPAC[1-(1,3-dioxan-2-ylmethyl)azetidin-3-yl]methanol
SMILESOCC1CN(CC2OCCCO2)C1
InChIInChI=1S/C9H17NO3/c11-7-8-4-10(5-8)6-9-12-2-1-3-13-9/h8-9,11H,1-7H2
InChIKeyZYOIGNPNHZAFKD-UHFFFAOYSA-N
MW187.24 g/mol
LogP-0.33
Rot. Bonds3

About [1-(1,3-dioxan-2-ylmethyl)azetidin-3-yl]methanol

[1-(1,3-dioxan-2-ylmethyl)azetidin-3-yl]methanol (PubChem CID 102849788) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is [1-(1,3-dioxan-2-ylmethyl)azetidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(1,3-dioxan-2-ylmethyl)azetidin-3-yl]methanol
PubChem CID102849788
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name[1-(1,3-dioxan-2-ylmethyl)azetidin-3-yl]methanol
SMILESOCC1CN(CC2OCCCO2)C1
InChIInChI=1S/C9H17NO3/c11-7-8-4-10(5-8)6-9-12-2-1-3-13-9/h8-9,11H,1-7H2
InChIKeyZYOIGNPNHZAFKD-UHFFFAOYSA-N
XLogP-0.33
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(1,3-dioxan-2-ylmethyl)azetidin-3-yl]methanol?
The IUPAC name of [1-(1,3-dioxan-2-ylmethyl)azetidin-3-yl]methanol (CID 102849788) is [1-(1,3-dioxan-2-ylmethyl)azetidin-3-yl]methanol.
What is the SMILES notation for [1-(1,3-dioxan-2-ylmethyl)azetidin-3-yl]methanol?
The canonical SMILES for [1-(1,3-dioxan-2-ylmethyl)azetidin-3-yl]methanol is OCC1CN(CC2OCCCO2)C1.
What is the InChIKey of [1-(1,3-dioxan-2-ylmethyl)azetidin-3-yl]methanol?
The InChIKey is ZYOIGNPNHZAFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c11-7-8-4-10(5-8)6-9-12-2-1-3-13-9/h8-9,11H,1-7H2.
What are the key properties of [1-(1,3-dioxan-2-ylmethyl)azetidin-3-yl]methanol?
[1-(1,3-dioxan-2-ylmethyl)azetidin-3-yl]methanol has a molecular weight of 187.24 g/mol, XLogP of -0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,3-dioxan-2-ylmethyl)azetidin-3-yl]methanol is sourced from PubChem (CID 102849788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).