(1R,8R)-bicyclo[6.1.0]nonane-9,9-dicarboxylate

C11H14O4-2 — CID 7057615

IUPAC(1R,8R)-bicyclo[6.1.0]nonane-9,9-dicarboxylate
SMILESO=C([O-])C1(C(=O)[O-])[C@@H]2CCCCCC[C@H]21
InChIInChI=1S/C11H16O4/c12-9(13)11(10(14)15)7-5-3-1-2-4-6-8(7)11/h7-8H,1-6H2,(H,12,13)(H,14,15)/p-2/t7-,8-/m1/s1
InChIKeyLGOHMXCZCZCTLH-HTQZYQBOSA-L
MW210.23 g/mol
LogP-0.93
Rot. Bonds2

About (1R,8R)-bicyclo[6.1.0]nonane-9,9-dicarboxylate

(1R,8R)-bicyclo[6.1.0]nonane-9,9-dicarboxylate (PubChem CID 7057615) has the molecular formula C11H14O4-2 and a molecular weight of 210.23 g/mol. Its IUPAC name is (1R,8R)-bicyclo[6.1.0]nonane-9,9-dicarboxylate.

Molecular Properties

Compound Name(1R,8R)-bicyclo[6.1.0]nonane-9,9-dicarboxylate
PubChem CID7057615
Molecular FormulaC11H14O4-2
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name(1R,8R)-bicyclo[6.1.0]nonane-9,9-dicarboxylate
SMILESO=C([O-])C1(C(=O)[O-])[C@@H]2CCCCCC[C@H]21
InChIInChI=1S/C11H16O4/c12-9(13)11(10(14)15)7-5-3-1-2-4-6-8(7)11/h7-8H,1-6H2,(H,12,13)(H,14,15)/p-2/t7-,8-/m1/s1
InChIKeyLGOHMXCZCZCTLH-HTQZYQBOSA-L
XLogP-0.93
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 5-0.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

dimethyl bicyclo[5.1.0]octane-8,8-dicarboxylate
CID 14547848
cyclotetradecanecarboxylate
CID 140590492
tris(cyclohexanecarboxylate);neodymium(3+)
CID 21259897
cycloheptanecarboxylate;thallium(1+)
CID 22604442
cyclohexylazanium;carbonate
CID 15793122
2-(2-cyclohexyl-1-hydroxycyclohexyl)acetate
CID 147745082
bis(cyclohexanecarboxylate);indium(3+);chloride
CID 160994257
CID 171703364
CID 171703364
pentacyclo[6.6.6.02,7.09,14.015,20]icosane-1,8-dicarbonyl chloride
CID 91740061
1-(10a-acetyl-1,2,3,4,4a,4b,5,6,7,8,9,10-dodecahydrophenanthren-8a-yl)ethanone
CID 18519297
calcium;cyclohexane;carbonate
CID 163512778
1-cyclohexylethanethiol acetate
CID 22215872

Frequently Asked Questions

What is the IUPAC name of (1R,8R)-bicyclo[6.1.0]nonane-9,9-dicarboxylate?
The IUPAC name of (1R,8R)-bicyclo[6.1.0]nonane-9,9-dicarboxylate (CID 7057615) is (1R,8R)-bicyclo[6.1.0]nonane-9,9-dicarboxylate.
What is the SMILES notation for (1R,8R)-bicyclo[6.1.0]nonane-9,9-dicarboxylate?
The canonical SMILES for (1R,8R)-bicyclo[6.1.0]nonane-9,9-dicarboxylate is O=C([O-])C1(C(=O)[O-])[C@@H]2CCCCCC[C@H]21.
What is the InChIKey of (1R,8R)-bicyclo[6.1.0]nonane-9,9-dicarboxylate?
The InChIKey is LGOHMXCZCZCTLH-HTQZYQBOSA-L. The full InChI is InChI=1S/C11H16O4/c12-9(13)11(10(14)15)7-5-3-1-2-4-6-8(7)11/h7-8H,1-6H2,(H,12,13)(H,14,15)/p-2/t7-,8-/m1/s1.
What are the key properties of (1R,8R)-bicyclo[6.1.0]nonane-9,9-dicarboxylate?
(1R,8R)-bicyclo[6.1.0]nonane-9,9-dicarboxylate has a molecular weight of 210.23 g/mol, XLogP of -0.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,8R)-bicyclo[6.1.0]nonane-9,9-dicarboxylate is sourced from PubChem (CID 7057615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).