oxan-2-yl 5,6-dihydroxybicyclo[2.2.1]heptane-2-carboxylate

C13H20O5 — CID 140997261

IUPACoxan-2-yl 5,6-dihydroxybicyclo[2.2.1]heptane-2-carboxylate
SMILESO=C(OC1CCCCO1)C1CC2CC1C(O)C2O
InChIInChI=1S/C13H20O5/c14-11-7-5-8(12(11)15)9(6-7)13(16)18-10-3-1-2-4-17-10/h7-12,14-15H,1-6H2
InChIKeyJAZWMMLFAQCNGG-UHFFFAOYSA-N
MW256.30 g/mol
LogP0.43
Rot. Bonds2

About oxan-2-yl 5,6-dihydroxybicyclo[2.2.1]heptane-2-carboxylate

oxan-2-yl 5,6-dihydroxybicyclo[2.2.1]heptane-2-carboxylate (PubChem CID 140997261) has the molecular formula C13H20O5 and a molecular weight of 256.30 g/mol. Its IUPAC name is oxan-2-yl 5,6-dihydroxybicyclo[2.2.1]heptane-2-carboxylate.

Molecular Properties

Compound Nameoxan-2-yl 5,6-dihydroxybicyclo[2.2.1]heptane-2-carboxylate
PubChem CID140997261
Molecular FormulaC13H20O5
Molecular Weight256.30 g/mol
Exact Mass256.13
IUPAC Nameoxan-2-yl 5,6-dihydroxybicyclo[2.2.1]heptane-2-carboxylate
SMILESO=C(OC1CCCCO1)C1CC2CC1C(O)C2O
InChIInChI=1S/C13H20O5/c14-11-7-5-8(12(11)15)9(6-7)13(16)18-10-3-1-2-4-17-10/h7-12,14-15H,1-6H2
InChIKeyJAZWMMLFAQCNGG-UHFFFAOYSA-N
XLogP0.43
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

oxan-2-yl 5-hydroxy-6-(2-methylprop-2-enoyloxy)bicyclo[2.2.1]heptane-2-carboxylate
CID 18724147
oxan-2-yl (1R,4S)-bicyclo[2.2.1]heptane-2-carboxylate
CID 70880668
2-hydroxyethyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid;oxolan-2-yl 5-hydroxy-6-(2-oxopropanoyloxy)bicyclo[2.2.1]heptane-2-carboxylate
CID 161071513
oxan-2-yl (2S)-2-ethylcyclohexane-1-carboxylate
CID 59918644
2,3-dichloro-4-(oxan-2-yloxy)-4-oxobut-2-enoic acid
CID 154081225
oxetan-2-yl cyclohexanecarboxylate
CID 91463497
oxan-2-yl 2-methylbut-2-enoate
CID 68809756
oxan-2-yl 2,2-dimethylpropanoate
CID 10679121
5,6-dihydroxybicyclo[2.2.1]heptane-2-carboxylic acid
CID 69029104
tris(oxan-2-yl) benzene-1,3,5-tricarboxylate
CID 139603181
oxan-2-yl adamantane-1-carboxylate
CID 22723774
oxan-2-yl 2-bromo-2-methylpropanoate
CID 12570457

Frequently Asked Questions

What is the IUPAC name of oxan-2-yl 5,6-dihydroxybicyclo[2.2.1]heptane-2-carboxylate?
The IUPAC name of oxan-2-yl 5,6-dihydroxybicyclo[2.2.1]heptane-2-carboxylate (CID 140997261) is oxan-2-yl 5,6-dihydroxybicyclo[2.2.1]heptane-2-carboxylate.
What is the SMILES notation for oxan-2-yl 5,6-dihydroxybicyclo[2.2.1]heptane-2-carboxylate?
The canonical SMILES for oxan-2-yl 5,6-dihydroxybicyclo[2.2.1]heptane-2-carboxylate is O=C(OC1CCCCO1)C1CC2CC1C(O)C2O.
What is the InChIKey of oxan-2-yl 5,6-dihydroxybicyclo[2.2.1]heptane-2-carboxylate?
The InChIKey is JAZWMMLFAQCNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O5/c14-11-7-5-8(12(11)15)9(6-7)13(16)18-10-3-1-2-4-17-10/h7-12,14-15H,1-6H2.
What are the key properties of oxan-2-yl 5,6-dihydroxybicyclo[2.2.1]heptane-2-carboxylate?
oxan-2-yl 5,6-dihydroxybicyclo[2.2.1]heptane-2-carboxylate has a molecular weight of 256.30 g/mol, XLogP of 0.43, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-2-yl 5,6-dihydroxybicyclo[2.2.1]heptane-2-carboxylate is sourced from PubChem (CID 140997261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).