2,5-dioxabicyclo[4.1.0]heptan-7-ylmethanol

C6H10O3 — CID 130002898

IUPAC2,5-dioxabicyclo[4.1.0]heptan-7-ylmethanol
SMILESOCC1C2OCCOC12
InChIInChI=1S/C6H10O3/c7-3-4-5-6(4)9-2-1-8-5/h4-7H,1-3H2
InChIKeyOYLYYNPFBRCVFB-UHFFFAOYSA-N
MW130.14 g/mol
LogP-0.61
Rot. Bonds1

About 2,5-dioxabicyclo[4.1.0]heptan-7-ylmethanol

2,5-dioxabicyclo[4.1.0]heptan-7-ylmethanol (PubChem CID 130002898) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is 2,5-dioxabicyclo[4.1.0]heptan-7-ylmethanol.

Molecular Properties

Compound Name2,5-dioxabicyclo[4.1.0]heptan-7-ylmethanol
PubChem CID130002898
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Name2,5-dioxabicyclo[4.1.0]heptan-7-ylmethanol
SMILESOCC1C2OCCOC12
InChIInChI=1S/C6H10O3/c7-3-4-5-6(4)9-2-1-8-5/h4-7H,1-3H2
InChIKeyOYLYYNPFBRCVFB-UHFFFAOYSA-N
XLogP-0.61
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.14
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,5-dioxabicyclo[4.1.0]heptan-7-ylmethanol 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-(1,3-dioxolan-2-ylmethyl)propane-1,3-diol
CID 54397027
(2S,3R)-2-(hydroxymethyl)oxolan-3-ol
CID 21120394
2-(2-oxabicyclo[4.1.0]heptan-7-yl)ethanol
CID 84648759
[(1S,4R,5S)-2-oxabicyclo[2.1.1]hexan-5-yl]methanol
CID 130891139
2-bicyclo[1.1.0]butanylmethanol
CID 73001174
2-prop-2-enyl-(213C)1,3-dioxolane
CID 173279538
[(4R,8R,8aR)-4-(hydroxymethyl)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-8-yl]methanol
CID 163521645
(2-amino-4,8-dioxatricyclo[4.2.1.03,7]nonan-9-yl)methanol
CID 130023380
[(1S,2R,3R,4S)-2,3,4-tris(hydroxymethyl)cyclopentyl]methanol
CID 131848681
2-(hydroxymethyl)oxolan-3-ol;methanethiol
CID 172622049
(3-ethyloxolan-2-yl)methanol
CID 139662526
[(2S)-3-hydroperoxyoxolan-2-yl]methanol
CID 142984914

Frequently Asked Questions

What is the IUPAC name of 2,5-dioxabicyclo[4.1.0]heptan-7-ylmethanol?
The IUPAC name of 2,5-dioxabicyclo[4.1.0]heptan-7-ylmethanol (CID 130002898) is 2,5-dioxabicyclo[4.1.0]heptan-7-ylmethanol.
What is the SMILES notation for 2,5-dioxabicyclo[4.1.0]heptan-7-ylmethanol?
The canonical SMILES for 2,5-dioxabicyclo[4.1.0]heptan-7-ylmethanol is OCC1C2OCCOC12.
What is the InChIKey of 2,5-dioxabicyclo[4.1.0]heptan-7-ylmethanol?
The InChIKey is OYLYYNPFBRCVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3/c7-3-4-5-6(4)9-2-1-8-5/h4-7H,1-3H2.
What are the key properties of 2,5-dioxabicyclo[4.1.0]heptan-7-ylmethanol?
2,5-dioxabicyclo[4.1.0]heptan-7-ylmethanol has a molecular weight of 130.14 g/mol, XLogP of -0.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dioxabicyclo[4.1.0]heptan-7-ylmethanol is sourced from PubChem (CID 130002898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).