[5-(hydroxymethyl)-2,5-dimethyloxolan-2-yl]methanol

C8H16O3 — CID 14486707

IUPAC[5-(hydroxymethyl)-2,5-dimethyloxolan-2-yl]methanol
SMILESCC1(CO)CCC(C)(CO)O1
InChIInChI=1S/C8H16O3/c1-7(5-9)3-4-8(2,6-10)11-7/h9-10H,3-6H2,1-2H3
InChIKeyMBEDSGGLKPENPR-UHFFFAOYSA-N
MW160.21 g/mol
LogP0.30
Rot. Bonds2

About [5-(hydroxymethyl)-2,5-dimethyloxolan-2-yl]methanol

[5-(hydroxymethyl)-2,5-dimethyloxolan-2-yl]methanol (PubChem CID 14486707) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is [5-(hydroxymethyl)-2,5-dimethyloxolan-2-yl]methanol.

Molecular Properties

Compound Name[5-(hydroxymethyl)-2,5-dimethyloxolan-2-yl]methanol
PubChem CID14486707
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name[5-(hydroxymethyl)-2,5-dimethyloxolan-2-yl]methanol
SMILESCC1(CO)CCC(C)(CO)O1
InChIInChI=1S/C8H16O3/c1-7(5-9)3-4-8(2,6-10)11-7/h9-10H,3-6H2,1-2H3
InChIKeyMBEDSGGLKPENPR-UHFFFAOYSA-N
XLogP0.30
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(hydroxymethyl)-2,5-dimethyloxolan-2-yl]methanol?
The IUPAC name of [5-(hydroxymethyl)-2,5-dimethyloxolan-2-yl]methanol (CID 14486707) is [5-(hydroxymethyl)-2,5-dimethyloxolan-2-yl]methanol.
What is the SMILES notation for [5-(hydroxymethyl)-2,5-dimethyloxolan-2-yl]methanol?
The canonical SMILES for [5-(hydroxymethyl)-2,5-dimethyloxolan-2-yl]methanol is CC1(CO)CCC(C)(CO)O1.
What is the InChIKey of [5-(hydroxymethyl)-2,5-dimethyloxolan-2-yl]methanol?
The InChIKey is MBEDSGGLKPENPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-7(5-9)3-4-8(2,6-10)11-7/h9-10H,3-6H2,1-2H3.
What are the key properties of [5-(hydroxymethyl)-2,5-dimethyloxolan-2-yl]methanol?
[5-(hydroxymethyl)-2,5-dimethyloxolan-2-yl]methanol has a molecular weight of 160.21 g/mol, XLogP of 0.30, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(hydroxymethyl)-2,5-dimethyloxolan-2-yl]methanol is sourced from PubChem (CID 14486707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).