3-(2-bicyclo[2.2.1]heptanylmethoxycarbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid;3-O-(2-bicyclo[2.2.1]heptanylmethoxymethyl) 2-O-(2-bicyclo[2.2.1]heptanylmethyl) bicyclo[2.2.1]heptane-2,3-dicarboxylate;3-O-(2-bicyclo[2.2.1]heptanylmethoxymethyl) 2-O-(2-bicyclo[2.2.1]heptanylmethyl) bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate;2-(chloromethoxymethyl)bicyclo[2.2.1]heptane

C78H111ClO15 — CID 159696186

IUPAC3-(2-bicyclo[2.2.1]heptanylmethoxycarbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid;3-O-(2-bicyclo[2.2.1]heptanylmethoxymethyl) 2-O-(2-bicyclo[2.2.1]heptanylmethyl) bicyclo[2.2.1]heptane-2,3-dicarboxylate;3-O-(2-bicyclo[2.2.1]heptanylmethoxymethyl) 2-O-(2-bicyclo[2.2.1]heptanylmethyl) bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate;2-(chloromethoxymethyl)bicyclo[2.2.1]heptane
SMILESClCOCC1CC2CCC1C2.O=C(O)C1C2C=CC(C2)C1C(=O)OCC1CC2CCC1C2.O=C(OCOCC1CC2CCC1C2)C1C2C=CC(C2)C1C(=O)OCC1CC2CCC1C2.O=C(OCOCC1CC2CCC1C2)C1C2CCC(C2)C1C(=O)OCC1CC2CCC1C2
InChIInChI=1S/C26H38O5.C26H36O5.C17H22O4.C9H15ClO/c2*27-25(30-13-22-10-16-2-4-18(22)8-16)23-19-5-6-20(11-19)24(23)26(28)31-14-29-12-21-9-15-1-3-17(21)7-15;18-16(19)14-11-3-4-12(7-11)15(14)17(20)21-8-13-6-9-1-2-10(13)5-9;10-6-11-5-9-4-7-1-2-8(9)3-7/h15-24H,1-14H2;5-6,15-24H,1-4,7-14H2;3-4,9-15H,1-2,5-8H2,(H,18,19);7-9H,1-6H2
InChIKeyMXAQKOVMIBSEJO-UHFFFAOYSA-N
MW1324.18 g/mol
LogP14.06
Rot. Bonds23

About 3-(2-bicyclo[2.2.1]heptanylmethoxycarbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid;3-O-(2-bicyclo[2.2.1]heptanylmethoxymethyl) 2-O-(2-bicyclo[2.2.1]heptanylmethyl) bicyclo[2.2.1]heptane-2,3-dicarboxylate;3-O-(2-bicyclo[2.2.1]heptanylmethoxymethyl) 2-O-(2-bicyclo[2.2.1]heptanylmethyl) bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate;2-(chloromethoxymethyl)bicyclo[2.2.1]heptane

3-(2-bicyclo[2.2.1]heptanylmethoxycarbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid;3-O-(2-bicyclo[2.2.1]heptanylmethoxymethyl) 2-O-(2-bicyclo[2.2.1]heptanylmethyl) bicyclo[2.2.1]heptane-2,3-dicarboxylate;3-O-(2-bicyclo[2.2.1]heptanylmethoxymethyl) 2-O-(2-bicyclo[2.2.1]heptanylmethyl) bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate;2-(chloromethoxymethyl)bicyclo[2.2.1]heptane (PubChem CID 159696186) has the molecular formula C78H111ClO15 and a molecular weight of 1324.18 g/mol. Its IUPAC name is 3-(2-bicyclo[2.2.1]heptanylmethoxycarbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid;3-O-(2-bicyclo[2.2.1]heptanylmethoxymethyl) 2-O-(2-bicyclo[2.2.1]heptanylmethyl) bicyclo[2.2.1]heptane-2,3-dicarboxylate;3-O-(2-bicyclo[2.2.1]heptanylmethoxymethyl) 2-O-(2-bicyclo[2.2.1]heptanylmethyl) bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate;2-(chloromethoxymethyl)bicyclo[2.2.1]heptane.

Molecular Properties

Compound Name3-(2-bicyclo[2.2.1]heptanylmethoxycarbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid;3-O-(2-bicyclo[2.2.1]heptanylmethoxymethyl) 2-O-(2-bicyclo[2.2.1]heptanylmethyl) bicyclo[2.2.1]heptane-2,3-dicarboxylate;3-O-(2-bicyclo[2.2.1]heptanylmethoxymethyl) 2-O-(2-bicyclo[2.2.1]heptanylmethyl) bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate;2-(chloromethoxymethyl)bicyclo[2.2.1]heptane
PubChem CID159696186
Molecular FormulaC78H111ClO15
Molecular Weight1324.18 g/mol
Exact Mass1322.76
IUPAC Name3-(2-bicyclo[2.2.1]heptanylmethoxycarbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid;3-O-(2-bicyclo[2.2.1]heptanylmethoxymethyl) 2-O-(2-bicyclo[2.2.1]heptanylmethyl) bicyclo[2.2.1]heptane-2,3-dicarboxylate;3-O-(2-bicyclo[2.2.1]heptanylmethoxymethyl) 2-O-(2-bicyclo[2.2.1]heptanylmethyl) bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate;2-(chloromethoxymethyl)bicyclo[2.2.1]heptane
SMILESClCOCC1CC2CCC1C2.O=C(O)C1C2C=CC(C2)C1C(=O)OCC1CC2CCC1C2.O=C(OCOCC1CC2CCC1C2)C1C2C=CC(C2)C1C(=O)OCC1CC2CCC1C2.O=C(OCOCC1CC2CCC1C2)C1C2CCC(C2)C1C(=O)OCC1CC2CCC1C2
InChIInChI=1S/C26H38O5.C26H36O5.C17H22O4.C9H15ClO/c2*27-25(30-13-22-10-16-2-4-18(22)8-16)23-19-5-6-20(11-19)24(23)26(28)31-14-29-12-21-9-15-1-3-17(21)7-15;18-16(19)14-11-3-4-12(7-11)15(14)17(20)21-8-13-6-9-1-2-10(13)5-9;10-6-11-5-9-4-7-1-2-8(9)3-7/h15-24H,1-14H2;5-6,15-24H,1-4,7-14H2;3-4,9-15H,1-2,5-8H2,(H,18,19);7-9H,1-6H2
InChIKeyMXAQKOVMIBSEJO-UHFFFAOYSA-N
XLogP14.06
TPSA196.49 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds23
Heavy Atoms94
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001324.18
LogP ≤ 514.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-(2-bicyclo[2.2.1]heptanylmethoxycarbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid;3-O-(2-bicyclo[2.2.1]heptanylmethoxymethyl) 2-O-(2-bicyclo[2.2.1]heptanylmethyl) bicyclo[2.2.1]heptane-2,3-dicarboxylate;3-O-(2-bicyclo[2.2.1]heptanylmethoxymethyl) 2-O-(2-bicyclo[2.2.1]heptanylmethyl) bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate;2-(chloromethoxymethyl)bicyclo[2.2.1]heptane with MolForge

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Related Compounds

bis(2-bicyclo[2.2.1]heptanylmethyl) (2R,3S)-bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
CID 59449195
2-O-(2-bicyclo[2.2.1]heptanylmethyl) 3-O-(ethoxymethyl) bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
CID 18684328
2-O-(2-bicyclo[2.2.1]heptanylmethoxymethyl) 3-O-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) bicyclo[2.2.1]heptane-2,3-dicarboxylate;2-O-(2-bicyclo[2.2.1]heptanylmethoxymethyl) 3-O-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate;2-(chloromethoxymethyl)bicyclo[2.2.1]heptane;2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxycarbonyl]benzoic acid
CID 159347999
3-[(6-carboxy-2-bicyclo[2.2.1]heptanyl)methoxycarbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 134267675
(1S,2S,3S,4R)-3-ethoxycarbonylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 13005433
(1R,2R,3S,4R)-3-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 124747079
(1S,4R)-3-(2-hydroxyethoxycarbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 11345148
2-bicyclo[2.2.1]hept-5-enylmethyl bicyclo[2.2.1]heptane-2-carboxylate
CID 66902864
[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]methyl N-phenylcarbamate
CID 98115390
bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid;silver
CID 58884336
3-(5-hydroxypentoxycarbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 22084482
(1R,2S,3S,4S)-3-phenylmethoxycarbonylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 800670

Frequently Asked Questions

What is the IUPAC name of 3-(2-bicyclo[2.2.1]heptanylmethoxycarbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid;3-O-(2-bicyclo[2.2.1]heptanylmethoxymethyl) 2-O-(2-bicyclo[2.2.1]heptanylmethyl) bicyclo[2.2.1]heptane-2,3-dicarboxylate;3-O-(2-bicyclo[2.2.1]heptanylmethoxymethyl) 2-O-(2-bicyclo[2.2.1]heptanylmethyl) bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate;2-(chloromethoxymethyl)bicyclo[2.2.1]heptane?
The IUPAC name of 3-(2-bicyclo[2.2.1]heptanylmethoxycarbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid;3-O-(2-bicyclo[2.2.1]heptanylmethoxymethyl) 2-O-(2-bicyclo[2.2.1]heptanylmethyl) bicyclo[2.2.1]heptane-2,3-dicarboxylate;3-O-(2-bicyclo[2.2.1]heptanylmethoxymethyl) 2-O-(2-bicyclo[2.2.1]heptanylmethyl) bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate;2-(chloromethoxymethyl)bicyclo[2.2.1]heptane (CID 159696186) is 3-(2-bicyclo[2.2.1]heptanylmethoxycarbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid;3-O-(2-bicyclo[2.2.1]heptanylmethoxymethyl) 2-O-(2-bicyclo[2.2.1]heptanylmethyl) bicyclo[2.2.1]heptane-2,3-dicarboxylate;3-O-(2-bicyclo[2.2.1]heptanylmethoxymethyl) 2-O-(2-bicyclo[2.2.1]heptanylmethyl) bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate;2-(chloromethoxymethyl)bicyclo[2.2.1]heptane.
What is the SMILES notation for 3-(2-bicyclo[2.2.1]heptanylmethoxycarbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid;3-O-(2-bicyclo[2.2.1]heptanylmethoxymethyl) 2-O-(2-bicyclo[2.2.1]heptanylmethyl) bicyclo[2.2.1]heptane-2,3-dicarboxylate;3-O-(2-bicyclo[2.2.1]heptanylmethoxymethyl) 2-O-(2-bicyclo[2.2.1]heptanylmethyl) bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate;2-(chloromethoxymethyl)bicyclo[2.2.1]heptane?
The canonical SMILES for 3-(2-bicyclo[2.2.1]heptanylmethoxycarbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid;3-O-(2-bicyclo[2.2.1]heptanylmethoxymethyl) 2-O-(2-bicyclo[2.2.1]heptanylmethyl) bicyclo[2.2.1]heptane-2,3-dicarboxylate;3-O-(2-bicyclo[2.2.1]heptanylmethoxymethyl) 2-O-(2-bicyclo[2.2.1]heptanylmethyl) bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate;2-(chloromethoxymethyl)bicyclo[2.2.1]heptane is ClCOCC1CC2CCC1C2.O=C(O)C1C2C=CC(C2)C1C(=O)OCC1CC2CCC1C2.O=C(OCOCC1CC2CCC1C2)C1C2C=CC(C2)C1C(=O)OCC1CC2CCC1C2.O=C(OCOCC1CC2CCC1C2)C1C2CCC(C2)C1C(=O)OCC1CC2CCC1C2.
What is the InChIKey of 3-(2-bicyclo[2.2.1]heptanylmethoxycarbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid;3-O-(2-bicyclo[2.2.1]heptanylmethoxymethyl) 2-O-(2-bicyclo[2.2.1]heptanylmethyl) bicyclo[2.2.1]heptane-2,3-dicarboxylate;3-O-(2-bicyclo[2.2.1]heptanylmethoxymethyl) 2-O-(2-bicyclo[2.2.1]heptanylmethyl) bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate;2-(chloromethoxymethyl)bicyclo[2.2.1]heptane?
The InChIKey is MXAQKOVMIBSEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38O5.C26H36O5.C17H22O4.C9H15ClO/c2*27-25(30-13-22-10-16-2-4-18(22)8-16)23-19-5-6-20(11-19)24(23)26(28)31-14-29-12-21-9-15-1-3-17(21)7-15;18-16(19)14-11-3-4-12(7-11)15(14)17(20)21-8-13-6-9-1-2-10(13)5-9;10-6-11-5-9-4-7-1-2-8(9)3-7/h15-24H,1-14H2;5-6,15-24H,1-4,7-14H2;3-4,9-15H,1-2,5-8H2,(H,18,19);7-9H,1-6H2.
What are the key properties of 3-(2-bicyclo[2.2.1]heptanylmethoxycarbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid;3-O-(2-bicyclo[2.2.1]heptanylmethoxymethyl) 2-O-(2-bicyclo[2.2.1]heptanylmethyl) bicyclo[2.2.1]heptane-2,3-dicarboxylate;3-O-(2-bicyclo[2.2.1]heptanylmethoxymethyl) 2-O-(2-bicyclo[2.2.1]heptanylmethyl) bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate;2-(chloromethoxymethyl)bicyclo[2.2.1]heptane?
3-(2-bicyclo[2.2.1]heptanylmethoxycarbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid;3-O-(2-bicyclo[2.2.1]heptanylmethoxymethyl) 2-O-(2-bicyclo[2.2.1]heptanylmethyl) bicyclo[2.2.1]heptane-2,3-dicarboxylate;3-O-(2-bicyclo[2.2.1]heptanylmethoxymethyl) 2-O-(2-bicyclo[2.2.1]heptanylmethyl) bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate;2-(chloromethoxymethyl)bicyclo[2.2.1]heptane has a molecular weight of 1324.18 g/mol, XLogP of 14.06, 23 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bicyclo[2.2.1]heptanylmethoxycarbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid;3-O-(2-bicyclo[2.2.1]heptanylmethoxymethyl) 2-O-(2-bicyclo[2.2.1]heptanylmethyl) bicyclo[2.2.1]heptane-2,3-dicarboxylate;3-O-(2-bicyclo[2.2.1]heptanylmethoxymethyl) 2-O-(2-bicyclo[2.2.1]heptanylmethyl) bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate;2-(chloromethoxymethyl)bicyclo[2.2.1]heptane is sourced from PubChem (CID 159696186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).