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

C7H12O3 — CID 88976520

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

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

(2S,5S)-5-(hydroxymethyl)-2-methyl-4-methylideneoxolan-3-ol (PubChem CID 88976520) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is (2S,5S)-5-(hydroxymethyl)-2-methyl-4-methylideneoxolan-3-ol.

Molecular Properties

Compound Name(2S,5S)-5-(hydroxymethyl)-2-methyl-4-methylideneoxolan-3-ol
PubChem CID88976520
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name(2S,5S)-5-(hydroxymethyl)-2-methyl-4-methylideneoxolan-3-ol
SMILESC=C1C(O)[C@H](C)O[C@@H]1CO
InChIInChI=1S/C7H12O3/c1-4-6(3-8)10-5(2)7(4)9/h5-9H,1,3H2,2H3/t5-,6+,7?/m0/s1
InChIKeyHJFNWXXLHNRJOV-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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Frequently Asked Questions

What is the IUPAC name of (2S,5S)-5-(hydroxymethyl)-2-methyl-4-methylideneoxolan-3-ol?
The IUPAC name of (2S,5S)-5-(hydroxymethyl)-2-methyl-4-methylideneoxolan-3-ol (CID 88976520) is (2S,5S)-5-(hydroxymethyl)-2-methyl-4-methylideneoxolan-3-ol.
What is the SMILES notation for (2S,5S)-5-(hydroxymethyl)-2-methyl-4-methylideneoxolan-3-ol?
The canonical SMILES for (2S,5S)-5-(hydroxymethyl)-2-methyl-4-methylideneoxolan-3-ol is C=C1C(O)[C@H](C)O[C@@H]1CO.
What is the InChIKey of (2S,5S)-5-(hydroxymethyl)-2-methyl-4-methylideneoxolan-3-ol?
The InChIKey is HJFNWXXLHNRJOV-GFCOJPQKSA-N. The full InChI is InChI=1S/C7H12O3/c1-4-6(3-8)10-5(2)7(4)9/h5-9H,1,3H2,2H3/t5-,6+,7?/m0/s1.
What are the key properties of (2S,5S)-5-(hydroxymethyl)-2-methyl-4-methylideneoxolan-3-ol?
(2S,5S)-5-(hydroxymethyl)-2-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 (2S,5S)-5-(hydroxymethyl)-2-methyl-4-methylideneoxolan-3-ol is sourced from PubChem (CID 88976520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).