[3-(hydroxymethyl)-1,4-dioxaspiro[4.4]nonan-3-yl]methanol

C9H16O4 — CID 67888178

IUPAC[3-(hydroxymethyl)-1,4-dioxaspiro[4.4]nonan-3-yl]methanol
SMILESOCC1(CO)COC2(CCCC2)O1
InChIInChI=1S/C9H16O4/c10-5-8(6-11)7-12-9(13-8)3-1-2-4-9/h10-11H,1-7H2
InChIKeyXDMXKAHWWPBCRV-UHFFFAOYSA-N
MW188.22 g/mol
LogP0.03
Rot. Bonds2

About [3-(hydroxymethyl)-1,4-dioxaspiro[4.4]nonan-3-yl]methanol

[3-(hydroxymethyl)-1,4-dioxaspiro[4.4]nonan-3-yl]methanol (PubChem CID 67888178) has the molecular formula C9H16O4 and a molecular weight of 188.22 g/mol. Its IUPAC name is [3-(hydroxymethyl)-1,4-dioxaspiro[4.4]nonan-3-yl]methanol.

Molecular Properties

Compound Name[3-(hydroxymethyl)-1,4-dioxaspiro[4.4]nonan-3-yl]methanol
PubChem CID67888178
Molecular FormulaC9H16O4
Molecular Weight188.22 g/mol
Exact Mass188.10
IUPAC Name[3-(hydroxymethyl)-1,4-dioxaspiro[4.4]nonan-3-yl]methanol
SMILESOCC1(CO)COC2(CCCC2)O1
InChIInChI=1S/C9H16O4/c10-5-8(6-11)7-12-9(13-8)3-1-2-4-9/h10-11H,1-7H2
InChIKeyXDMXKAHWWPBCRV-UHFFFAOYSA-N
XLogP0.03
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(hydroxymethyl)-1,4-dioxaspiro[4.4]nonan-3-yl]methanol?
The IUPAC name of [3-(hydroxymethyl)-1,4-dioxaspiro[4.4]nonan-3-yl]methanol (CID 67888178) is [3-(hydroxymethyl)-1,4-dioxaspiro[4.4]nonan-3-yl]methanol.
What is the SMILES notation for [3-(hydroxymethyl)-1,4-dioxaspiro[4.4]nonan-3-yl]methanol?
The canonical SMILES for [3-(hydroxymethyl)-1,4-dioxaspiro[4.4]nonan-3-yl]methanol is OCC1(CO)COC2(CCCC2)O1.
What is the InChIKey of [3-(hydroxymethyl)-1,4-dioxaspiro[4.4]nonan-3-yl]methanol?
The InChIKey is XDMXKAHWWPBCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O4/c10-5-8(6-11)7-12-9(13-8)3-1-2-4-9/h10-11H,1-7H2.
What are the key properties of [3-(hydroxymethyl)-1,4-dioxaspiro[4.4]nonan-3-yl]methanol?
[3-(hydroxymethyl)-1,4-dioxaspiro[4.4]nonan-3-yl]methanol has a molecular weight of 188.22 g/mol, XLogP of 0.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxymethyl)-1,4-dioxaspiro[4.4]nonan-3-yl]methanol is sourced from PubChem (CID 67888178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).