hexane-1,2,3,4,5,6-hexol;2-methyloxirane;oxirane

C11H24O8 — CID 174373260

IUPAChexane-1,2,3,4,5,6-hexol;2-methyloxirane;oxirane
SMILESC1CO1.CC1CO1.OCC(O)C(O)C(O)C(O)CO
InChIInChI=1S/C6H14O6.C3H6O.C2H4O/c7-1-3(9)5(11)6(12)4(10)2-8;1-3-2-4-3;1-2-3-1/h3-12H,1-2H2;3H,2H2,1H3;1-2H2
InChIKeyGCVSUBDWSUOALB-UHFFFAOYSA-N
MW284.31 g/mol
LogP-3.16
Rot. Bonds5

About hexane-1,2,3,4,5,6-hexol;2-methyloxirane;oxirane

hexane-1,2,3,4,5,6-hexol;2-methyloxirane;oxirane (PubChem CID 174373260) has the molecular formula C11H24O8 and a molecular weight of 284.31 g/mol. Its IUPAC name is hexane-1,2,3,4,5,6-hexol;2-methyloxirane;oxirane.

Molecular Properties

Compound Namehexane-1,2,3,4,5,6-hexol;2-methyloxirane;oxirane
PubChem CID174373260
Molecular FormulaC11H24O8
Molecular Weight284.31 g/mol
Exact Mass284.15
IUPAC Namehexane-1,2,3,4,5,6-hexol;2-methyloxirane;oxirane
SMILESC1CO1.CC1CO1.OCC(O)C(O)C(O)C(O)CO
InChIInChI=1S/C6H14O6.C3H6O.C2H4O/c7-1-3(9)5(11)6(12)4(10)2-8;1-3-2-4-3;1-2-3-1/h3-12H,1-2H2;3H,2H2,1H3;1-2H2
InChIKeyGCVSUBDWSUOALB-UHFFFAOYSA-N
XLogP-3.16
TPSA146.44 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.31
LogP ≤ 5-3.16
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze hexane-1,2,3,4,5,6-hexol;2-methyloxirane;oxirane 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-methyloxirane;oxirane;propan-2-ol
CID 22467713
3-hydroperoxypropane-1,2-diol;2-methyloxirane;oxirane
CID 174854855
(2-methyloxirane);oxirane
CID 173423277
bis(2-methyloxirane);(2R)-propane-1,2-diol;hydrate
CID 159169454
hexane-1,2,3,4,5,6-hexol;methanol
CID 174767977
(2S,3S,4S,5S)-hexane-1,2,3,4,5,6-hexol;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol
CID 135394797
(2R,5S)-hexane-1,2,3,4,5,6-hexol
CID 88909362
(2R,3S,4S,5R)-hexane-1,2,3,4,5,6-hexol;(2R,3S,4R,5R)-hexane-1,2,3,4,5,6-hexol
CID 87912891
(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;(3R,4S,5R)-oxane-2,3,4,5-tetrol
CID 154641569
(3R,5R,6R)-heptane-1,2,3,4,5,6,7-heptol
CID 87483282
(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;zinc
CID 88619828
(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;iron
CID 173421469

Frequently Asked Questions

What is the IUPAC name of hexane-1,2,3,4,5,6-hexol;2-methyloxirane;oxirane?
The IUPAC name of hexane-1,2,3,4,5,6-hexol;2-methyloxirane;oxirane (CID 174373260) is hexane-1,2,3,4,5,6-hexol;2-methyloxirane;oxirane.
What is the SMILES notation for hexane-1,2,3,4,5,6-hexol;2-methyloxirane;oxirane?
The canonical SMILES for hexane-1,2,3,4,5,6-hexol;2-methyloxirane;oxirane is C1CO1.CC1CO1.OCC(O)C(O)C(O)C(O)CO.
What is the InChIKey of hexane-1,2,3,4,5,6-hexol;2-methyloxirane;oxirane?
The InChIKey is GCVSUBDWSUOALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O6.C3H6O.C2H4O/c7-1-3(9)5(11)6(12)4(10)2-8;1-3-2-4-3;1-2-3-1/h3-12H,1-2H2;3H,2H2,1H3;1-2H2.
What are the key properties of hexane-1,2,3,4,5,6-hexol;2-methyloxirane;oxirane?
hexane-1,2,3,4,5,6-hexol;2-methyloxirane;oxirane has a molecular weight of 284.31 g/mol, XLogP of -3.16, 5 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for hexane-1,2,3,4,5,6-hexol;2-methyloxirane;oxirane is sourced from PubChem (CID 174373260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).