[3-(hydroxymethyl)-1-oxa-4-azoniaspiro[4.4]nonan-3-yl]methanol

C9H18NO3+ — CID 5070019

IUPAC[3-(hydroxymethyl)-1-oxa-4-azoniaspiro[4.4]nonan-3-yl]methanol
SMILESOCC1(CO)COC2(CCCC2)[NH2+]1
InChIInChI=1S/C9H17NO3/c11-5-8(6-12)7-13-9(10-8)3-1-2-4-9/h10-12H,1-7H2/p+1
InChIKeyIEUAZNHOIZPQER-UHFFFAOYSA-O
MW188.25 g/mol
LogP-1.43
Rot. Bonds2

About [3-(hydroxymethyl)-1-oxa-4-azoniaspiro[4.4]nonan-3-yl]methanol

[3-(hydroxymethyl)-1-oxa-4-azoniaspiro[4.4]nonan-3-yl]methanol (PubChem CID 5070019) has the molecular formula C9H18NO3+ and a molecular weight of 188.25 g/mol. Its IUPAC name is [3-(hydroxymethyl)-1-oxa-4-azoniaspiro[4.4]nonan-3-yl]methanol.

Molecular Properties

Compound Name[3-(hydroxymethyl)-1-oxa-4-azoniaspiro[4.4]nonan-3-yl]methanol
PubChem CID5070019
Molecular FormulaC9H18NO3+
Molecular Weight188.25 g/mol
Exact Mass188.13
IUPAC Name[3-(hydroxymethyl)-1-oxa-4-azoniaspiro[4.4]nonan-3-yl]methanol
SMILESOCC1(CO)COC2(CCCC2)[NH2+]1
InChIInChI=1S/C9H17NO3/c11-5-8(6-12)7-13-9(10-8)3-1-2-4-9/h10-12H,1-7H2/p+1
InChIKeyIEUAZNHOIZPQER-UHFFFAOYSA-O
XLogP-1.43
TPSA66.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 5-1.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(hydroxymethyl)-1-oxa-4-azoniaspiro[4.4]nonan-3-yl]methanol?
The IUPAC name of [3-(hydroxymethyl)-1-oxa-4-azoniaspiro[4.4]nonan-3-yl]methanol (CID 5070019) is [3-(hydroxymethyl)-1-oxa-4-azoniaspiro[4.4]nonan-3-yl]methanol.
What is the SMILES notation for [3-(hydroxymethyl)-1-oxa-4-azoniaspiro[4.4]nonan-3-yl]methanol?
The canonical SMILES for [3-(hydroxymethyl)-1-oxa-4-azoniaspiro[4.4]nonan-3-yl]methanol is OCC1(CO)COC2(CCCC2)[NH2+]1.
What is the InChIKey of [3-(hydroxymethyl)-1-oxa-4-azoniaspiro[4.4]nonan-3-yl]methanol?
The InChIKey is IEUAZNHOIZPQER-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H17NO3/c11-5-8(6-12)7-13-9(10-8)3-1-2-4-9/h10-12H,1-7H2/p+1.
What are the key properties of [3-(hydroxymethyl)-1-oxa-4-azoniaspiro[4.4]nonan-3-yl]methanol?
[3-(hydroxymethyl)-1-oxa-4-azoniaspiro[4.4]nonan-3-yl]methanol has a molecular weight of 188.25 g/mol, XLogP of -1.43, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxymethyl)-1-oxa-4-azoniaspiro[4.4]nonan-3-yl]methanol is sourced from PubChem (CID 5070019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).