6-methyl-5-methylideneoxane-3,4-diol

C7H12O3 — CID 59503945

IUPAC6-methyl-5-methylideneoxane-3,4-diol
SMILESC=C1C(C)OCC(O)C1O
InChIInChI=1S/C7H12O3/c1-4-5(2)10-3-6(8)7(4)9/h5-9H,1,3H2,2H3
InChIKeyPFIXAPOLRVFENM-UHFFFAOYSA-N
MW144.17 g/mol
LogP-0.32
Rot. Bonds

About 6-methyl-5-methylideneoxane-3,4-diol

6-methyl-5-methylideneoxane-3,4-diol (PubChem CID 59503945) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is 6-methyl-5-methylideneoxane-3,4-diol.

Molecular Properties

Compound Name6-methyl-5-methylideneoxane-3,4-diol
PubChem CID59503945
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name6-methyl-5-methylideneoxane-3,4-diol
SMILESC=C1C(C)OCC(O)C1O
InChIInChI=1S/C7H12O3/c1-4-5(2)10-3-6(8)7(4)9/h5-9H,1,3H2,2H3
InChIKeyPFIXAPOLRVFENM-UHFFFAOYSA-N
XLogP-0.32
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
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 6-methyl-5-methylideneoxane-3,4-diol?
The IUPAC name of 6-methyl-5-methylideneoxane-3,4-diol (CID 59503945) is 6-methyl-5-methylideneoxane-3,4-diol.
What is the SMILES notation for 6-methyl-5-methylideneoxane-3,4-diol?
The canonical SMILES for 6-methyl-5-methylideneoxane-3,4-diol is C=C1C(C)OCC(O)C1O.
What is the InChIKey of 6-methyl-5-methylideneoxane-3,4-diol?
The InChIKey is PFIXAPOLRVFENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3/c1-4-5(2)10-3-6(8)7(4)9/h5-9H,1,3H2,2H3.
What are the key properties of 6-methyl-5-methylideneoxane-3,4-diol?
6-methyl-5-methylideneoxane-3,4-diol has a molecular weight of 144.17 g/mol, XLogP of -0.32, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-methylideneoxane-3,4-diol is sourced from PubChem (CID 59503945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).