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

C8H16O3 — CID 10702109

IUPAC[(2S,5R)-5-(hydroxymethyl)-2,5-dimethyloxolan-2-yl]methanol
SMILESC[C@]1(CO)CC[C@@](C)(CO)O1
InChIInChI=1S/C8H16O3/c1-7(5-9)3-4-8(2,6-10)11-7/h9-10H,3-6H2,1-2H3/t7-,8+
InChIKeyMBEDSGGLKPENPR-OCAPTIKFSA-N
MW160.21 g/mol
LogP0.30
Rot. Bonds2

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

[(2S,5R)-5-(hydroxymethyl)-2,5-dimethyloxolan-2-yl]methanol (PubChem CID 10702109) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is [(2S,5R)-5-(hydroxymethyl)-2,5-dimethyloxolan-2-yl]methanol.

Molecular Properties

Compound Name[(2S,5R)-5-(hydroxymethyl)-2,5-dimethyloxolan-2-yl]methanol
PubChem CID10702109
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name[(2S,5R)-5-(hydroxymethyl)-2,5-dimethyloxolan-2-yl]methanol
SMILESC[C@]1(CO)CC[C@@](C)(CO)O1
InChIInChI=1S/C8H16O3/c1-7(5-9)3-4-8(2,6-10)11-7/h9-10H,3-6H2,1-2H3/t7-,8+
InChIKeyMBEDSGGLKPENPR-OCAPTIKFSA-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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Related Compounds

2,2,5,5-Tetramethyloxolan-3-ol
CID 34730
(5,5-Dimethyloxolan-2-yl)methanol
CID 12403542
2,5-Dimethyl-1,2,6-hexanetriol
CID 256067
2-(1-Hydroxy-1-methylethyl)-5-methyltetrahydrofuran
CID 13346424
2-[(2R,5S)-5-methyloxolan-2-yl]propan-2-ol
CID 10909691
5-Ethenyl-alpha,alpha,5-trimethyl-2-furanmethanol, tetrahydro
CID 13616671
3-Furanol, tetrahydro-5,5-diethyl-
CID 34707
3,4-Furandiol, tetrahydro-2,2,5,5-tetramethyl-
CID 34723
(2,5,5-Trimethyloxolan-2-yl)methanol
CID 12634236
(2-Methyloxolan-2-yl)methanol
CID 12931501
(2,5-Dimethyloxolan-2-yl)methanol
CID 13616668
(2-Ethyloxolan-2-yl)methanol
CID 20388279

Frequently Asked Questions

What is the IUPAC name of [(2S,5R)-5-(hydroxymethyl)-2,5-dimethyloxolan-2-yl]methanol?
The IUPAC name of [(2S,5R)-5-(hydroxymethyl)-2,5-dimethyloxolan-2-yl]methanol (CID 10702109) is [(2S,5R)-5-(hydroxymethyl)-2,5-dimethyloxolan-2-yl]methanol.
What is the SMILES notation for [(2S,5R)-5-(hydroxymethyl)-2,5-dimethyloxolan-2-yl]methanol?
The canonical SMILES for [(2S,5R)-5-(hydroxymethyl)-2,5-dimethyloxolan-2-yl]methanol is C[C@]1(CO)CC[C@@](C)(CO)O1.
What is the InChIKey of [(2S,5R)-5-(hydroxymethyl)-2,5-dimethyloxolan-2-yl]methanol?
The InChIKey is MBEDSGGLKPENPR-OCAPTIKFSA-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/t7-,8+.
What are the key properties of [(2S,5R)-5-(hydroxymethyl)-2,5-dimethyloxolan-2-yl]methanol?
[(2S,5R)-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 [(2S,5R)-5-(hydroxymethyl)-2,5-dimethyloxolan-2-yl]methanol is sourced from PubChem (CID 10702109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).