2-[5-(hydroxymethyl)-5-methyloxolan-2-yl]oxypropan-2-ol

C9H18O4 — CID 123283726

IUPAC2-[5-(hydroxymethyl)-5-methyloxolan-2-yl]oxypropan-2-ol
SMILESCC(C)(O)OC1CCC(C)(CO)O1
InChIInChI=1S/C9H18O4/c1-8(2,11)12-7-4-5-9(3,6-10)13-7/h7,10-11H,4-6H2,1-3H3
InChIKeyRGVPAJYRCHJCFL-UHFFFAOYSA-N
MW190.24 g/mol
LogP0.62
Rot. Bonds3

About 2-[5-(hydroxymethyl)-5-methyloxolan-2-yl]oxypropan-2-ol

2-[5-(hydroxymethyl)-5-methyloxolan-2-yl]oxypropan-2-ol (PubChem CID 123283726) has the molecular formula C9H18O4 and a molecular weight of 190.24 g/mol. Its IUPAC name is 2-[5-(hydroxymethyl)-5-methyloxolan-2-yl]oxypropan-2-ol.

Molecular Properties

Compound Name2-[5-(hydroxymethyl)-5-methyloxolan-2-yl]oxypropan-2-ol
PubChem CID123283726
Molecular FormulaC9H18O4
Molecular Weight190.24 g/mol
Exact Mass190.12
IUPAC Name2-[5-(hydroxymethyl)-5-methyloxolan-2-yl]oxypropan-2-ol
SMILESCC(C)(O)OC1CCC(C)(CO)O1
InChIInChI=1S/C9H18O4/c1-8(2,11)12-7-4-5-9(3,6-10)13-7/h7,10-11H,4-6H2,1-3H3
InChIKeyRGVPAJYRCHJCFL-UHFFFAOYSA-N
XLogP0.62
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[2-ethyl-5-(2-hydroxypropan-2-yloxy)oxolan-2-yl]butan-1-ol
CID 90881026
[(2S,4S)-2,4-dimethyloxetan-2-yl]methanol
CID 131106641
[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyloxolan-2-yl]methanol
CID 16736190
2-[(2R)-5-[(2R)-oxiran-2-yl]oxolan-2-yl]oxypropan-2-ol
CID 147454887
[(2S,4R)-2-tert-butyl-4-methyl-1,3-dioxolan-4-yl]methanol
CID 101372590
3-[(8,8-dimethyl-1-oxaspiro[4.5]decan-2-yl)oxy]-2,2-dimethylpropan-1-ol
CID 169171978
[(4S,6R)-2,2,4,6-tetramethyl-1,3-dioxan-4-yl]methanol
CID 11469364
2-[[(2S)-8-tert-butyl-1-oxaspiro[4.5]decan-2-yl]oxy]ethanol
CID 169171995
2,2-bis[(8,8-dimethyl-1-oxaspiro[4.5]decan-2-yl)oxymethyl]propane-1,3-diol
CID 169171968
4-amino-1-[(5S)-5-(hydroxymethyl)-5-methyloxolan-2-yl]pyrimidin-2-one
CID 142192946
(2,5-diethoxyoxolan-2-yl)methanol
CID 150634003
2-[5-(2-iminoethyl)-5-methyloxolan-2-yl]propan-2-ol
CID 123772193

Frequently Asked Questions

What is the IUPAC name of 2-[5-(hydroxymethyl)-5-methyloxolan-2-yl]oxypropan-2-ol?
The IUPAC name of 2-[5-(hydroxymethyl)-5-methyloxolan-2-yl]oxypropan-2-ol (CID 123283726) is 2-[5-(hydroxymethyl)-5-methyloxolan-2-yl]oxypropan-2-ol.
What is the SMILES notation for 2-[5-(hydroxymethyl)-5-methyloxolan-2-yl]oxypropan-2-ol?
The canonical SMILES for 2-[5-(hydroxymethyl)-5-methyloxolan-2-yl]oxypropan-2-ol is CC(C)(O)OC1CCC(C)(CO)O1.
What is the InChIKey of 2-[5-(hydroxymethyl)-5-methyloxolan-2-yl]oxypropan-2-ol?
The InChIKey is RGVPAJYRCHJCFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O4/c1-8(2,11)12-7-4-5-9(3,6-10)13-7/h7,10-11H,4-6H2,1-3H3.
What are the key properties of 2-[5-(hydroxymethyl)-5-methyloxolan-2-yl]oxypropan-2-ol?
2-[5-(hydroxymethyl)-5-methyloxolan-2-yl]oxypropan-2-ol has a molecular weight of 190.24 g/mol, XLogP of 0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(hydroxymethyl)-5-methyloxolan-2-yl]oxypropan-2-ol is sourced from PubChem (CID 123283726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).