(2R,5S)-2-(hydroxymethyl)-5-methyl-4-methylideneoxolan-3-ol

C7H12O3 — CID 154434446

IUPAC(2R,5S)-2-(hydroxymethyl)-5-methyl-4-methylideneoxolan-3-ol
SMILESC=C1C(O)[C@@H](CO)O[C@H]1C
InChIInChI=1S/C7H12O3/c1-4-5(2)10-6(3-8)7(4)9/h5-9H,1,3H2,2H3/t5-,6+,7?/m0/s1
InChIKeyGAPKQNLFQBZUGO-GFCOJPQKSA-N
MW144.17 g/mol
LogP-0.32
Rot. Bonds1

About (2R,5S)-2-(hydroxymethyl)-5-methyl-4-methylideneoxolan-3-ol

(2R,5S)-2-(hydroxymethyl)-5-methyl-4-methylideneoxolan-3-ol (PubChem CID 154434446) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is (2R,5S)-2-(hydroxymethyl)-5-methyl-4-methylideneoxolan-3-ol.

Molecular Properties

Compound Name(2R,5S)-2-(hydroxymethyl)-5-methyl-4-methylideneoxolan-3-ol
PubChem CID154434446
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name(2R,5S)-2-(hydroxymethyl)-5-methyl-4-methylideneoxolan-3-ol
SMILESC=C1C(O)[C@@H](CO)O[C@H]1C
InChIInChI=1S/C7H12O3/c1-4-5(2)10-6(3-8)7(4)9/h5-9H,1,3H2,2H3/t5-,6+,7?/m0/s1
InChIKeyGAPKQNLFQBZUGO-GFCOJPQKSA-N
XLogP-0.32
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2S,4R)-4-hydroxy-5-(hydroxymethyl)-2-methyloxolan-3-one
CID 58758225
(2R,3S,4S)-2-(hydroxymethyl)-5-methylideneoxolane-3,4-diol
CID 131854316
(2S,3R,4S)-4-bromo-5-(hydroxymethyl)-2-methyloxolan-3-ol
CID 58758219
(2S,3R,4S,5R)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol
CID 59795634
(3S,4R)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol
CID 59039787
(3S,4S)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol
CID 146299921
(2R,4R,5R)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol
CID 157377669
(2S,3R,4R,5R)-5-(hydroxymethyl)-2,3-dimethyloxolane-3,4-diol
CID 59796320
(3R,4R,5R)-5-(hydroxymethyl)-2,3-dimethyloxolane-3,4-diol
CID 58959143
(3R)-3,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-one
CID 118285722
(3R,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-one
CID 135043917
(3R,4R,6R)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol
CID 67472419

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-2-(hydroxymethyl)-5-methyl-4-methylideneoxolan-3-ol?
The IUPAC name of (2R,5S)-2-(hydroxymethyl)-5-methyl-4-methylideneoxolan-3-ol (CID 154434446) is (2R,5S)-2-(hydroxymethyl)-5-methyl-4-methylideneoxolan-3-ol.
What is the SMILES notation for (2R,5S)-2-(hydroxymethyl)-5-methyl-4-methylideneoxolan-3-ol?
The canonical SMILES for (2R,5S)-2-(hydroxymethyl)-5-methyl-4-methylideneoxolan-3-ol is C=C1C(O)[C@@H](CO)O[C@H]1C.
What is the InChIKey of (2R,5S)-2-(hydroxymethyl)-5-methyl-4-methylideneoxolan-3-ol?
The InChIKey is GAPKQNLFQBZUGO-GFCOJPQKSA-N. The full InChI is InChI=1S/C7H12O3/c1-4-5(2)10-6(3-8)7(4)9/h5-9H,1,3H2,2H3/t5-,6+,7?/m0/s1.
What are the key properties of (2R,5S)-2-(hydroxymethyl)-5-methyl-4-methylideneoxolan-3-ol?
(2R,5S)-2-(hydroxymethyl)-5-methyl-4-methylideneoxolan-3-ol has a molecular weight of 144.17 g/mol, XLogP of -0.32, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-2-(hydroxymethyl)-5-methyl-4-methylideneoxolan-3-ol is sourced from PubChem (CID 154434446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).