2-(hydroxymethyl)-6-methylideneoxan-4-ol

C7H12O3 — CID 18730127

IUPAC2-(hydroxymethyl)-6-methylideneoxan-4-ol
SMILESC=C1CC(O)CC(CO)O1
InChIInChI=1S/C7H12O3/c1-5-2-6(9)3-7(4-8)10-5/h6-9H,1-4H2
InChIKeyZTGFFGLKBHXDQC-UHFFFAOYSA-N
MW144.17 g/mol
LogP0.03
Rot. Bonds1

About 2-(hydroxymethyl)-6-methylideneoxan-4-ol

2-(hydroxymethyl)-6-methylideneoxan-4-ol (PubChem CID 18730127) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is 2-(hydroxymethyl)-6-methylideneoxan-4-ol.

Molecular Properties

Compound Name2-(hydroxymethyl)-6-methylideneoxan-4-ol
PubChem CID18730127
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name2-(hydroxymethyl)-6-methylideneoxan-4-ol
SMILESC=C1CC(O)CC(CO)O1
InChIInChI=1S/C7H12O3/c1-5-2-6(9)3-7(4-8)10-5/h6-9H,1-4H2
InChIKeyZTGFFGLKBHXDQC-UHFFFAOYSA-N
XLogP0.03
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 ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(hydroxymethyl)-6-methylideneoxan-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6-Anhydro-1-deoxygluco-hept-1-enitol
CID 188267
2,6-Anhydro-1-deoxygalacto-hept-1-enitol
CID 70004438
(2R,3S)-2-ethenyloxan-3-ol
CID 11062403
(2S,3R)-2-ethenyloxan-3-ol
CID 11159338
2-Ethenyloxan-3-ol
CID 14142047
(2S,3S)-2-ethenyloxan-3-ol
CID 14142046
2,6-Anhydro-7-deoxy--d-talo-hept-6-enitol
CID 129775385
(3,4,5-Trihydroxy-6-methylideneoxan-2-yl)methyl hypofluorite
CID 170785736
(2R,3S,4S,5R)-2-(hydroxymethyl)-6-methylideneoxane-3,4,5-triol
CID 13980825
2-Methylideneoxane-3,4,5-triol
CID 18534363
2-Ethenyloxane-3,4,5-triol
CID 22755840
2-Ethyl-5-methylideneoxolan-3-ol
CID 54377835

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-6-methylideneoxan-4-ol?
The IUPAC name of 2-(hydroxymethyl)-6-methylideneoxan-4-ol (CID 18730127) is 2-(hydroxymethyl)-6-methylideneoxan-4-ol.
What is the SMILES notation for 2-(hydroxymethyl)-6-methylideneoxan-4-ol?
The canonical SMILES for 2-(hydroxymethyl)-6-methylideneoxan-4-ol is C=C1CC(O)CC(CO)O1.
What is the InChIKey of 2-(hydroxymethyl)-6-methylideneoxan-4-ol?
The InChIKey is ZTGFFGLKBHXDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3/c1-5-2-6(9)3-7(4-8)10-5/h6-9H,1-4H2.
What are the key properties of 2-(hydroxymethyl)-6-methylideneoxan-4-ol?
2-(hydroxymethyl)-6-methylideneoxan-4-ol has a molecular weight of 144.17 g/mol, XLogP of 0.03, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-6-methylideneoxan-4-ol is sourced from PubChem (CID 18730127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).