[3-acetyloxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] acetate;[3-(4-aminobutylcarbamoyloxy)-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] N-(4-aminobutyl)carbamate;[3-hydroxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] N-(4-aminobutyl)carbamate;[3-hydroxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] (2S)-2,3-dihydroxypropanoate;[3-hydroxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] 2-[2-(2-methoxyethoxy)ethoxy]acetate;[3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] 2-[2-(2-methoxyethoxy)ethoxy]acetate

C169H254N6O32 — CID 159129225

IUPAC[3-acetyloxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] acetate;[3-(4-aminobutylcarbamoyloxy)-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] N-(4-aminobutyl)carbamate;[3-hydroxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] N-(4-aminobutyl)carbamate;[3-hydroxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] (2S)-2,3-dihydroxypropanoate;[3-hydroxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] 2-[2-(2-methoxyethoxy)ethoxy]acetate;[3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] 2-[2-(2-methoxyethoxy)ethoxy]acetate
SMILESC=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(CCCCC)cc1OC(=O)COCCOCCOC.C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(CCCCC)cc1OC(=O)NCCCCN.C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(CCCCC)cc1OC(=O)[C@@H](O)CO.C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(OC(=O)COCCOCCOC)cc(CCCCC)cc1OC(=O)COCCOCCOC.C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(OC(=O)NCCCCN)cc(CCCCC)cc1OC(=O)NCCCCN.C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(OC(C)=O)cc(CCCCC)cc1OC(C)=O
InChIInChI=1S/C35H54O10.C31H50N4O4.C28H42O6.C26H40N2O3.C25H34O4.C24H34O5/c1-7-8-9-10-28-22-31(44-33(36)24-42-19-17-40-15-13-38-5)35(30-21-27(4)11-12-29(30)26(2)3)32(23-28)45-34(37)25-43-20-18-41-16-14-39-6;1-5-6-7-12-24-20-27(38-30(36)34-17-10-8-15-32)29(26-19-23(4)13-14-25(26)22(2)3)28(21-24)39-31(37)35-18-11-9-16-33;1-6-7-8-9-22-17-25(29)28(24-16-21(4)10-11-23(24)20(2)3)26(18-22)34-27(30)19-33-15-14-32-13-12-31-5;1-5-6-7-10-20-16-23(29)25(22-15-19(4)11-12-21(22)18(2)3)24(17-20)31-26(30)28-14-9-8-13-27;1-7-8-9-10-20-14-23(28-18(5)26)25(24(15-20)29-19(6)27)22-13-17(4)11-12-21(22)16(2)3;1-5-6-7-8-17-12-20(26)23(22(13-17)29-24(28)21(27)14-25)19-11-16(4)9-10-18(19)15(2)3/h21-23,29-30H,2,7-20,24-25H2,1,3-6H3;19-21,25-26H,2,5-18,32-33H2,1,3-4H3,(H,34,36)(H,35,37);16-18,23-24,29H,2,6-15,19H2,1,3-5H3;15-17,21-22,29H,2,5-14,27H2,1,3-4H3,(H,28,30);13-15,21-22H,2,7-12H2,1,3-6H3;11-13,18-19,21,25-27H,2,5-10,14H2,1,3-4H3/t29-,30+;25-,26+;23-,24+;2*21-,22+;18-,19+,21-/m000000/s1
InChIKeyKGQZGUMXZIRYQW-TZYDWGMKSA-N
MW2881.90 g/mol
LogP34.07
Rot. Bonds83

About [3-acetyloxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] acetate;[3-(4-aminobutylcarbamoyloxy)-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] N-(4-aminobutyl)carbamate;[3-hydroxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] N-(4-aminobutyl)carbamate;[3-hydroxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] (2S)-2,3-dihydroxypropanoate;[3-hydroxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] 2-[2-(2-methoxyethoxy)ethoxy]acetate;[3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] 2-[2-(2-methoxyethoxy)ethoxy]acetate

[3-acetyloxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] acetate;[3-(4-aminobutylcarbamoyloxy)-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] N-(4-aminobutyl)carbamate;[3-hydroxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] N-(4-aminobutyl)carbamate;[3-hydroxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] (2S)-2,3-dihydroxypropanoate;[3-hydroxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] 2-[2-(2-methoxyethoxy)ethoxy]acetate;[3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] 2-[2-(2-methoxyethoxy)ethoxy]acetate (PubChem CID 159129225) has the molecular formula C169H254N6O32 and a molecular weight of 2881.90 g/mol. Its IUPAC name is [3-acetyloxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] acetate;[3-(4-aminobutylcarbamoyloxy)-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] N-(4-aminobutyl)carbamate;[3-hydroxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] N-(4-aminobutyl)carbamate;[3-hydroxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] (2S)-2,3-dihydroxypropanoate;[3-hydroxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] 2-[2-(2-methoxyethoxy)ethoxy]acetate;[3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] 2-[2-(2-methoxyethoxy)ethoxy]acetate.

Molecular Properties

Compound Name[3-acetyloxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] acetate;[3-(4-aminobutylcarbamoyloxy)-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] N-(4-aminobutyl)carbamate;[3-hydroxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] N-(4-aminobutyl)carbamate;[3-hydroxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] (2S)-2,3-dihydroxypropanoate;[3-hydroxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] 2-[2-(2-methoxyethoxy)ethoxy]acetate;[3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] 2-[2-(2-methoxyethoxy)ethoxy]acetate
PubChem CID159129225
Molecular FormulaC169H254N6O32
Molecular Weight2881.90 g/mol
Exact Mass2879.84
IUPAC Name[3-acetyloxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] acetate;[3-(4-aminobutylcarbamoyloxy)-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] N-(4-aminobutyl)carbamate;[3-hydroxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] N-(4-aminobutyl)carbamate;[3-hydroxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] (2S)-2,3-dihydroxypropanoate;[3-hydroxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] 2-[2-(2-methoxyethoxy)ethoxy]acetate;[3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] 2-[2-(2-methoxyethoxy)ethoxy]acetate
SMILESC=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(CCCCC)cc1OC(=O)COCCOCCOC.C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(CCCCC)cc1OC(=O)NCCCCN.C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(CCCCC)cc1OC(=O)[C@@H](O)CO.C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(OC(=O)COCCOCCOC)cc(CCCCC)cc1OC(=O)COCCOCCOC.C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(OC(=O)NCCCCN)cc(CCCCC)cc1OC(=O)NCCCCN.C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(OC(C)=O)cc(CCCCC)cc1OC(C)=O
InChIInChI=1S/C35H54O10.C31H50N4O4.C28H42O6.C26H40N2O3.C25H34O4.C24H34O5/c1-7-8-9-10-28-22-31(44-33(36)24-42-19-17-40-15-13-38-5)35(30-21-27(4)11-12-29(30)26(2)3)32(23-28)45-34(37)25-43-20-18-41-16-14-39-6;1-5-6-7-12-24-20-27(38-30(36)34-17-10-8-15-32)29(26-19-23(4)13-14-25(26)22(2)3)28(21-24)39-31(37)35-18-11-9-16-33;1-6-7-8-9-22-17-25(29)28(24-16-21(4)10-11-23(24)20(2)3)26(18-22)34-27(30)19-33-15-14-32-13-12-31-5;1-5-6-7-10-20-16-23(29)25(22-15-19(4)11-12-21(22)18(2)3)24(17-20)31-26(30)28-14-9-8-13-27;1-7-8-9-10-20-14-23(28-18(5)26)25(24(15-20)29-19(6)27)22-13-17(4)11-12-21(22)16(2)3;1-5-6-7-8-17-12-20(26)23(22(13-17)29-24(28)21(27)14-25)19-11-16(4)9-10-18(19)15(2)3/h21-23,29-30H,2,7-20,24-25H2,1,3-6H3;19-21,25-26H,2,5-18,32-33H2,1,3-4H3,(H,34,36)(H,35,37);16-18,23-24,29H,2,6-15,19H2,1,3-5H3;15-17,21-22,29H,2,5-14,27H2,1,3-4H3,(H,28,30);13-15,21-22H,2,7-12H2,1,3-6H3;11-13,18-19,21,25-27H,2,5-10,14H2,1,3-4H3/t29-,30+;25-,26+;23-,24+;2*21-,22+;18-,19+,21-/m000000/s1
InChIKeyKGQZGUMXZIRYQW-TZYDWGMKSA-N
XLogP34.07
TPSA535.07 Ų
H-Bond Donors11
H-Bond Acceptors35
Rotatable Bonds83
Heavy Atoms207
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002881.90
LogP ≤ 534.07
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze [3-acetyloxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] acetate;[3-(4-aminobutylcarbamoyloxy)-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] N-(4-aminobutyl)carbamate;[3-hydroxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] N-(4-aminobutyl)carbamate;[3-hydroxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] (2S)-2,3-dihydroxypropanoate;[3-hydroxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] 2-[2-(2-methoxyethoxy)ethoxy]acetate;[3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] 2-[2-(2-methoxyethoxy)ethoxy]acetate with MolForge

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Launch Full Analysis

Related Compounds

ethyl 4-[[3-hydroxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenoxy]carbonylamino]butanoate
CID 177107781
[3-hydroxy-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentylphenyl] 2-hydroxypropanoate
CID 75603237
[3-acetyloxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] acetate
CID 15139512
[3-hydroxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] N-[3-(oxetan-3-yl)propyl]carbamate
CID 155447780
[3-hydroxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] pentyl carbonate
CID 167605581
4-[3-hydroxy-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentylphenoxy]-4-oxobutanoic acid
CID 165154282
3-[2-[2-[2-[2-[2-[2-[3-hydroxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenol
CID 172914300
[3-carbamoyloxy-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentylphenyl] acetate
CID 89204178
[3-(2-hydroxyacetyl)oxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] 2-hydroxyacetate
CID 25177323
[3-methoxycarbonyloxy-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentylphenyl] methyl carbonate
CID 74398908
[3-hydroxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] N-(hydroxycarbamoyl)carbamate
CID 155448170
1,3-bis(2-methoxyethoxymethoxy)-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylbenzene
CID 155570351

Frequently Asked Questions

What is the IUPAC name of [3-acetyloxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] acetate;[3-(4-aminobutylcarbamoyloxy)-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] N-(4-aminobutyl)carbamate;[3-hydroxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] N-(4-aminobutyl)carbamate;[3-hydroxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] (2S)-2,3-dihydroxypropanoate;[3-hydroxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] 2-[2-(2-methoxyethoxy)ethoxy]acetate;[3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] 2-[2-(2-methoxyethoxy)ethoxy]acetate?
The IUPAC name of [3-acetyloxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] acetate;[3-(4-aminobutylcarbamoyloxy)-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] N-(4-aminobutyl)carbamate;[3-hydroxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] N-(4-aminobutyl)carbamate;[3-hydroxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] (2S)-2,3-dihydroxypropanoate;[3-hydroxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] 2-[2-(2-methoxyethoxy)ethoxy]acetate;[3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] 2-[2-(2-methoxyethoxy)ethoxy]acetate (CID 159129225) is [3-acetyloxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] acetate;[3-(4-aminobutylcarbamoyloxy)-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] N-(4-aminobutyl)carbamate;[3-hydroxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] N-(4-aminobutyl)carbamate;[3-hydroxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] (2S)-2,3-dihydroxypropanoate;[3-hydroxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] 2-[2-(2-methoxyethoxy)ethoxy]acetate;[3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] 2-[2-(2-methoxyethoxy)ethoxy]acetate.
What is the SMILES notation for [3-acetyloxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] acetate;[3-(4-aminobutylcarbamoyloxy)-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] N-(4-aminobutyl)carbamate;[3-hydroxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] N-(4-aminobutyl)carbamate;[3-hydroxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] (2S)-2,3-dihydroxypropanoate;[3-hydroxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] 2-[2-(2-methoxyethoxy)ethoxy]acetate;[3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] 2-[2-(2-methoxyethoxy)ethoxy]acetate?
The canonical SMILES for [3-acetyloxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] acetate;[3-(4-aminobutylcarbamoyloxy)-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] N-(4-aminobutyl)carbamate;[3-hydroxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] N-(4-aminobutyl)carbamate;[3-hydroxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] (2S)-2,3-dihydroxypropanoate;[3-hydroxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] 2-[2-(2-methoxyethoxy)ethoxy]acetate;[3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] 2-[2-(2-methoxyethoxy)ethoxy]acetate is C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(CCCCC)cc1OC(=O)COCCOCCOC.C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(CCCCC)cc1OC(=O)NCCCCN.C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(CCCCC)cc1OC(=O)[C@@H](O)CO.C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(OC(=O)COCCOCCOC)cc(CCCCC)cc1OC(=O)COCCOCCOC.C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(OC(=O)NCCCCN)cc(CCCCC)cc1OC(=O)NCCCCN.C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(OC(C)=O)cc(CCCCC)cc1OC(C)=O.
What is the InChIKey of [3-acetyloxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] acetate;[3-(4-aminobutylcarbamoyloxy)-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] N-(4-aminobutyl)carbamate;[3-hydroxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] N-(4-aminobutyl)carbamate;[3-hydroxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] (2S)-2,3-dihydroxypropanoate;[3-hydroxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] 2-[2-(2-methoxyethoxy)ethoxy]acetate;[3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] 2-[2-(2-methoxyethoxy)ethoxy]acetate?
The InChIKey is KGQZGUMXZIRYQW-TZYDWGMKSA-N. The full InChI is InChI=1S/C35H54O10.C31H50N4O4.C28H42O6.C26H40N2O3.C25H34O4.C24H34O5/c1-7-8-9-10-28-22-31(44-33(36)24-42-19-17-40-15-13-38-5)35(30-21-27(4)11-12-29(30)26(2)3)32(23-28)45-34(37)25-43-20-18-41-16-14-39-6;1-5-6-7-12-24-20-27(38-30(36)34-17-10-8-15-32)29(26-19-23(4)13-14-25(26)22(2)3)28(21-24)39-31(37)35-18-11-9-16-33;1-6-7-8-9-22-17-25(29)28(24-16-21(4)10-11-23(24)20(2)3)26(18-22)34-27(30)19-33-15-14-32-13-12-31-5;1-5-6-7-10-20-16-23(29)25(22-15-19(4)11-12-21(22)18(2)3)24(17-20)31-26(30)28-14-9-8-13-27;1-7-8-9-10-20-14-23(28-18(5)26)25(24(15-20)29-19(6)27)22-13-17(4)11-12-21(22)16(2)3;1-5-6-7-8-17-12-20(26)23(22(13-17)29-24(28)21(27)14-25)19-11-16(4)9-10-18(19)15(2)3/h21-23,29-30H,2,7-20,24-25H2,1,3-6H3;19-21,25-26H,2,5-18,32-33H2,1,3-4H3,(H,34,36)(H,35,37);16-18,23-24,29H,2,6-15,19H2,1,3-5H3;15-17,21-22,29H,2,5-14,27H2,1,3-4H3,(H,28,30);13-15,21-22H,2,7-12H2,1,3-6H3;11-13,18-19,21,25-27H,2,5-10,14H2,1,3-4H3/t29-,30+;25-,26+;23-,24+;2*21-,22+;18-,19+,21-/m000000/s1.
What are the key properties of [3-acetyloxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] acetate;[3-(4-aminobutylcarbamoyloxy)-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] N-(4-aminobutyl)carbamate;[3-hydroxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] N-(4-aminobutyl)carbamate;[3-hydroxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] (2S)-2,3-dihydroxypropanoate;[3-hydroxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] 2-[2-(2-methoxyethoxy)ethoxy]acetate;[3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] 2-[2-(2-methoxyethoxy)ethoxy]acetate?
[3-acetyloxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] acetate;[3-(4-aminobutylcarbamoyloxy)-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] N-(4-aminobutyl)carbamate;[3-hydroxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] N-(4-aminobutyl)carbamate;[3-hydroxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] (2S)-2,3-dihydroxypropanoate;[3-hydroxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] 2-[2-(2-methoxyethoxy)ethoxy]acetate;[3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] 2-[2-(2-methoxyethoxy)ethoxy]acetate has a molecular weight of 2881.90 g/mol, XLogP of 34.07, 83 rotatable bonds, 11 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for [3-acetyloxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] acetate;[3-(4-aminobutylcarbamoyloxy)-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] N-(4-aminobutyl)carbamate;[3-hydroxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] N-(4-aminobutyl)carbamate;[3-hydroxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] (2S)-2,3-dihydroxypropanoate;[3-hydroxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] 2-[2-(2-methoxyethoxy)ethoxy]acetate;[3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] 2-[2-(2-methoxyethoxy)ethoxy]acetate is sourced from PubChem (CID 159129225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).