[3-(hydroxymethyl)-2-methyloxolan-3-yl]methanol

C7H14O3 — CID 130490555

IUPAC[3-(hydroxymethyl)-2-methyloxolan-3-yl]methanol
SMILESCC1OCCC1(CO)CO
InChIInChI=1S/C7H14O3/c1-6-7(4-8,5-9)2-3-10-6/h6,8-9H,2-5H2,1H3
InChIKeyRRGSDOAPURUSSJ-UHFFFAOYSA-N
MW146.19 g/mol
LogP-0.23
Rot. Bonds2

About [3-(hydroxymethyl)-2-methyloxolan-3-yl]methanol

[3-(hydroxymethyl)-2-methyloxolan-3-yl]methanol (PubChem CID 130490555) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is [3-(hydroxymethyl)-2-methyloxolan-3-yl]methanol.

Molecular Properties

Compound Name[3-(hydroxymethyl)-2-methyloxolan-3-yl]methanol
PubChem CID130490555
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Name[3-(hydroxymethyl)-2-methyloxolan-3-yl]methanol
SMILESCC1OCCC1(CO)CO
InChIInChI=1S/C7H14O3/c1-6-7(4-8,5-9)2-3-10-6/h6,8-9H,2-5H2,1H3
InChIKeyRRGSDOAPURUSSJ-UHFFFAOYSA-N
XLogP-0.23
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(hydroxymethyl)-2-methyloxolan-3-yl]methanol?
The IUPAC name of [3-(hydroxymethyl)-2-methyloxolan-3-yl]methanol (CID 130490555) is [3-(hydroxymethyl)-2-methyloxolan-3-yl]methanol.
What is the SMILES notation for [3-(hydroxymethyl)-2-methyloxolan-3-yl]methanol?
The canonical SMILES for [3-(hydroxymethyl)-2-methyloxolan-3-yl]methanol is CC1OCCC1(CO)CO.
What is the InChIKey of [3-(hydroxymethyl)-2-methyloxolan-3-yl]methanol?
The InChIKey is RRGSDOAPURUSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3/c1-6-7(4-8,5-9)2-3-10-6/h6,8-9H,2-5H2,1H3.
What are the key properties of [3-(hydroxymethyl)-2-methyloxolan-3-yl]methanol?
[3-(hydroxymethyl)-2-methyloxolan-3-yl]methanol has a molecular weight of 146.19 g/mol, XLogP of -0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxymethyl)-2-methyloxolan-3-yl]methanol is sourced from PubChem (CID 130490555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).