butan-2-ylbenzene;9-butan-2-ylcarbazole;[3-(2,2-dimethylbutanoyloxy)-2-hydroxypropyl] 3H-indene-1-carboxylate;[4-(9,10-dioxoanthracen-2-yl)-2-hydroxybutyl] 2,2-dimethylbutanoate;2-[(9,10-dioxoanthracen-2-yl)methoxy]ethyl 2,2-dimethylbutanoate;2-[2-(1,3-dioxoisoindol-2-yl)ethoxycarbonylamino]ethyl 2,2-dimethylbutanoate;9-ethylcarbazole;2-(1H-indol-3-yl)ethyl 2,2-dimethylbutanoate

C141H163N5O23 — CID 160543052

IUPACbutan-2-ylbenzene;9-butan-2-ylcarbazole;[3-(2,2-dimethylbutanoyloxy)-2-hydroxypropyl] 3H-indene-1-carboxylate;[4-(9,10-dioxoanthracen-2-yl)-2-hydroxybutyl] 2,2-dimethylbutanoate;2-[(9,10-dioxoanthracen-2-yl)methoxy]ethyl 2,2-dimethylbutanoate;2-[2-(1,3-dioxoisoindol-2-yl)ethoxycarbonylamino]ethyl 2,2-dimethylbutanoate;9-ethylcarbazole;2-(1H-indol-3-yl)ethyl 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OCC(O)CCc1ccc2c(c1)C(=O)c1ccccc1C2=O.CCC(C)(C)C(=O)OCC(O)COC(=O)C1=CCc2ccccc21.CCC(C)(C)C(=O)OCCNC(=O)OCCN1C(=O)c2ccccc2C1=O.CCC(C)(C)C(=O)OCCOCc1ccc2c(c1)C(=O)c1ccccc1C2=O.CCC(C)(C)C(=O)OCCc1c[nH]c2ccccc12.CCC(C)c1ccccc1.CCC(C)n1c2ccccc2c2ccccc21.CCn1c2ccccc2c2ccccc21
InChIInChI=1S/C24H26O5.C23H24O5.C19H24N2O6.C19H24O5.C16H21NO2.C16H17N.C14H13N.C10H14/c1-4-24(2,3)23(28)29-14-16(25)11-9-15-10-12-19-20(13-15)22(27)18-8-6-5-7-17(18)21(19)26;1-4-23(2,3)22(26)28-12-11-27-14-15-9-10-18-19(13-15)21(25)17-8-6-5-7-16(17)20(18)24;1-4-19(2,3)17(24)26-11-9-20-18(25)27-12-10-21-15(22)13-7-5-6-8-14(13)16(21)23;1-4-19(2,3)18(22)24-12-14(20)11-23-17(21)16-10-9-13-7-5-6-8-15(13)16;1-4-16(2,3)15(18)19-10-9-12-11-17-14-8-6-5-7-13(12)14;1-3-12(2)17-15-10-6-4-8-13(15)14-9-5-7-11-16(14)17;1-2-15-13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;1-3-9(2)10-7-5-4-6-8-10/h5-8,10,12-13,16,25H,4,9,11,14H2,1-3H3;5-10,13H,4,11-12,14H2,1-3H3;5-8H,4,9-12H2,1-3H3,(H,20,25);5-8,10,14,20H,4,9,11-12H2,1-3H3;5-8,11,17H,4,9-10H2,1-3H3;4-12H,3H2,1-2H3;3-10H,2H2,1H3;4-9H,3H2,1-2H3
InChIKeyQXAWKFHFXBTMTB-UHFFFAOYSA-N
MW2295.87 g/mol
LogP27.66
Rot. Bonds39

About butan-2-ylbenzene;9-butan-2-ylcarbazole;[3-(2,2-dimethylbutanoyloxy)-2-hydroxypropyl] 3H-indene-1-carboxylate;[4-(9,10-dioxoanthracen-2-yl)-2-hydroxybutyl] 2,2-dimethylbutanoate;2-[(9,10-dioxoanthracen-2-yl)methoxy]ethyl 2,2-dimethylbutanoate;2-[2-(1,3-dioxoisoindol-2-yl)ethoxycarbonylamino]ethyl 2,2-dimethylbutanoate;9-ethylcarbazole;2-(1H-indol-3-yl)ethyl 2,2-dimethylbutanoate

butan-2-ylbenzene;9-butan-2-ylcarbazole;[3-(2,2-dimethylbutanoyloxy)-2-hydroxypropyl] 3H-indene-1-carboxylate;[4-(9,10-dioxoanthracen-2-yl)-2-hydroxybutyl] 2,2-dimethylbutanoate;2-[(9,10-dioxoanthracen-2-yl)methoxy]ethyl 2,2-dimethylbutanoate;2-[2-(1,3-dioxoisoindol-2-yl)ethoxycarbonylamino]ethyl 2,2-dimethylbutanoate;9-ethylcarbazole;2-(1H-indol-3-yl)ethyl 2,2-dimethylbutanoate (PubChem CID 160543052) has the molecular formula C141H163N5O23 and a molecular weight of 2295.87 g/mol. Its IUPAC name is butan-2-ylbenzene;9-butan-2-ylcarbazole;[3-(2,2-dimethylbutanoyloxy)-2-hydroxypropyl] 3H-indene-1-carboxylate;[4-(9,10-dioxoanthracen-2-yl)-2-hydroxybutyl] 2,2-dimethylbutanoate;2-[(9,10-dioxoanthracen-2-yl)methoxy]ethyl 2,2-dimethylbutanoate;2-[2-(1,3-dioxoisoindol-2-yl)ethoxycarbonylamino]ethyl 2,2-dimethylbutanoate;9-ethylcarbazole;2-(1H-indol-3-yl)ethyl 2,2-dimethylbutanoate.

Molecular Properties

Compound Namebutan-2-ylbenzene;9-butan-2-ylcarbazole;[3-(2,2-dimethylbutanoyloxy)-2-hydroxypropyl] 3H-indene-1-carboxylate;[4-(9,10-dioxoanthracen-2-yl)-2-hydroxybutyl] 2,2-dimethylbutanoate;2-[(9,10-dioxoanthracen-2-yl)methoxy]ethyl 2,2-dimethylbutanoate;2-[2-(1,3-dioxoisoindol-2-yl)ethoxycarbonylamino]ethyl 2,2-dimethylbutanoate;9-ethylcarbazole;2-(1H-indol-3-yl)ethyl 2,2-dimethylbutanoate
PubChem CID160543052
Molecular FormulaC141H163N5O23
Molecular Weight2295.87 g/mol
Exact Mass2294.17
IUPAC Namebutan-2-ylbenzene;9-butan-2-ylcarbazole;[3-(2,2-dimethylbutanoyloxy)-2-hydroxypropyl] 3H-indene-1-carboxylate;[4-(9,10-dioxoanthracen-2-yl)-2-hydroxybutyl] 2,2-dimethylbutanoate;2-[(9,10-dioxoanthracen-2-yl)methoxy]ethyl 2,2-dimethylbutanoate;2-[2-(1,3-dioxoisoindol-2-yl)ethoxycarbonylamino]ethyl 2,2-dimethylbutanoate;9-ethylcarbazole;2-(1H-indol-3-yl)ethyl 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OCC(O)CCc1ccc2c(c1)C(=O)c1ccccc1C2=O.CCC(C)(C)C(=O)OCC(O)COC(=O)C1=CCc2ccccc21.CCC(C)(C)C(=O)OCCNC(=O)OCCN1C(=O)c2ccccc2C1=O.CCC(C)(C)C(=O)OCCOCc1ccc2c(c1)C(=O)c1ccccc1C2=O.CCC(C)(C)C(=O)OCCc1c[nH]c2ccccc12.CCC(C)c1ccccc1.CCC(C)n1c2ccccc2c2ccccc21.CCn1c2ccccc2c2ccccc21
InChIInChI=1S/C24H26O5.C23H24O5.C19H24N2O6.C19H24O5.C16H21NO2.C16H17N.C14H13N.C10H14/c1-4-24(2,3)23(28)29-14-16(25)11-9-15-10-12-19-20(13-15)22(27)18-8-6-5-7-17(18)21(19)26;1-4-23(2,3)22(26)28-12-11-27-14-15-9-10-18-19(13-15)21(25)17-8-6-5-7-16(17)20(18)24;1-4-19(2,3)17(24)26-11-9-20-18(25)27-12-10-21-15(22)13-7-5-6-8-14(13)16(21)23;1-4-19(2,3)18(22)24-12-14(20)11-23-17(21)16-10-9-13-7-5-6-8-15(13)16;1-4-16(2,3)15(18)19-10-9-12-11-17-14-8-6-5-7-13(12)14;1-3-12(2)17-15-10-6-4-8-13(15)14-9-5-7-11-16(14)17;1-2-15-13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;1-3-9(2)10-7-5-4-6-8-10/h5-8,10,12-13,16,25H,4,9,11,14H2,1-3H3;5-10,13H,4,11-12,14H2,1-3H3;5-8H,4,9-12H2,1-3H3,(H,20,25);5-8,10,14,20H,4,9,11-12H2,1-3H3;5-8,11,17H,4,9-10H2,1-3H3;4-12H,3H2,1-2H3;3-10H,2H2,1H3;4-9H,3H2,1-2H3
InChIKeyQXAWKFHFXBTMTB-UHFFFAOYSA-N
XLogP27.66
TPSA377.13 Ų
H-Bond Donors4
H-Bond Acceptors25
Rotatable Bonds39
Heavy Atoms169
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002295.87
LogP ≤ 527.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze butan-2-ylbenzene;9-butan-2-ylcarbazole;[3-(2,2-dimethylbutanoyloxy)-2-hydroxypropyl] 3H-indene-1-carboxylate;[4-(9,10-dioxoanthracen-2-yl)-2-hydroxybutyl] 2,2-dimethylbutanoate;2-[(9,10-dioxoanthracen-2-yl)methoxy]ethyl 2,2-dimethylbutanoate;2-[2-(1,3-dioxoisoindol-2-yl)ethoxycarbonylamino]ethyl 2,2-dimethylbutanoate;9-ethylcarbazole;2-(1H-indol-3-yl)ethyl 2,2-dimethylbutanoate with MolForge

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Related Compounds

[(2S,4R,6R)-2-[(1,3-dioxoisoindol-2-yl)methyl]-6-[3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indol-1-yl]oxan-4-yl] benzoate
CID 54310956
[(2S,4S,6R)-2-[(1,3-dioxoisoindol-2-yl)methyl]-6-[3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indol-1-yl]oxan-4-yl] benzoate
CID 67631081
butan-2-ylbenzene;9-butan-2-ylcarbazole;1-(9,10-dioxoanthracen-1-yl)-3-(3-hydroperoxy-4,4-dimethylhexyl)urea;9-ethylcarbazole;2-[(3-hydroperoxy-4,4-dimethylhexoxy)methyl]anthracene-9,10-dione;2-(5-hydroperoxy-3-hydroxy-6,6-dimethyloctyl)anthracene-9,10-dione;3-(3-hydroperoxy-4-methylhexyl)-1H-indole
CID 157371955
ethyl 4-(1-pentylindole-3-carbonyl)naphthalene-1-carboxylate;N-methyl-4-(1-pentylindole-3-carbonyl)naphthalene-1-carboxamide;4-(1-pentylindole-3-carbonyl)naphthalene-1-carboxamide;1-[4-(1-pentylindole-3-carbonyl)naphthalen-1-yl]propan-1-one
CID 157619333
1-benzyl-6-tert-butylindole;1-(6-tert-butylindol-1-yl)ethanone;6-tert-butyl-1-methylindole;2,6-ditert-butyl-1H-indole;ethyl 6-tert-butyl-1H-indole-4-carboxylate;ethyl 6-tert-butyl-1H-indole-7-carboxylate
CID 157748040
ethyl 4-(1-pentylindole-3-carbonyl)naphthalene-1-carboxylate;N-methyl-4-(1-pentylindole-3-carbonyl)naphthalene-1-carboxamide;4-[1-(2-morpholin-4-ylethyl)indole-3-carbonyl]naphthalene-1-carboxylic acid;4-(1-pentylindole-3-carbonyl)naphthalene-1-carboxamide
CID 157846911
6-tert-butyl-1-methylindole;2-(5-tert-butyl-2-propan-2-ylindol-1-yl)ethanol;2,5-ditert-butyl-7-fluoro-1H-indene;3-(2,5-ditert-butyl-6-fluoroindol-1-yl)propan-1-ol;1-(2,5-ditert-butylindol-1-yl)-3-methoxypropan-2-ol;ethyl 6-tert-butyl-1H-indene-4-carboxylate;ethyl 6-tert-butyl-1H-indene-5-carboxylate;ethyl 6-tert-butyl-1H-indole-7-carboxylate
CID 157898504
4-[[(3S,6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-6-amino-5-(1H-indol-3-ylmethyl)-1-methoxy-2-methyl-3,6-dioxohexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylamino]butanoic acid;4-[5-[[(3S,6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-6-amino-5-(1H-indol-3-ylmethyl)-1-methoxy-2-methyl-3,6-dioxohexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylamino]-2-oxopentyl]cyclohexane-1-carboxylic acid;benzyl 4-aminocyclohexane-1-carboxylate;(2,5-dioxopyrrolidin-1-yl) 4-[5-[[(3S,6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-6-amino-5-(1H-indol-3-ylmethyl)-1-methoxy-2-methyl-3,6-dioxohexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylamino]-2-oxopentyl]cyclohexane-1-carboxylate;1-hydroxypyrrolidine-2,5-dione
CID 157987196
(5R)-6-(1H-indol-3-yl)-2,2-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)hexanoic acid;(2R)-3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoic acid;methyl 2-amino-2-methylpropanoate;methyl (5R)-6-(1H-indol-3-yl)-2,2-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)hexanoate;phenacyl (5R)-6-(1-tert-butylindol-3-yl)-2,2-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)hexanoate;phenacyl (5R)-6-(1H-indol-3-yl)-2,2-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)hexanoate;hydrochloride
CID 158172182
butan-2-ylbenzene;9-butan-2-ylcarbazole;[3-(2,2-dimethylbutanoyloxy)-2-hydroxypropyl] 1H-indole-3-carboxylate;[3-[(9,10-dioxoanthracen-2-yl)amino]-2-hydroxypropyl] 2,2-dimethylbutanoate;2-[(9,10-dioxoanthracen-2-yl)methoxy]ethyl 2,2-dimethylbutanoate;2-[2-(1,3-dioxoisoindol-2-yl)ethoxycarbonylamino]ethyl 2,2-dimethylbutanoate;9-ethylcarbazole;2-(1H-indol-3-yl)ethyl 2,2-dimethylbutanoate
CID 158314269
[2-butanoyloxy-2-[8-carbamoyl-5-[2-methyl-3-(5-methyl-3-oxo-1H-isoindol-2-yl)phenyl]-9H-carbazol-2-yl]ethyl] butanoate;[2-[8-carbamoyl-5-[2-methyl-3-(5-methyl-3-oxo-1H-isoindol-2-yl)phenyl]-9H-carbazol-2-yl]-2-hydroxyethyl] butanoate
CID 158375298
4-[[(3S,6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-6-amino-5-(1H-indol-3-ylmethyl)-1-methoxy-2-methyl-3,6-dioxohexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylamino]butanoic acid;4-[5-[[(3S,6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-6-amino-5-(1H-indol-3-ylmethyl)-1-methoxy-2-methyl-3,6-dioxohexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylamino]-2-oxopentyl]cyclohexane-1-carboxylic acid;benzyl 4-aminocyclohexane-1-carboxylate;(2,5-dioxopyrrolidin-1-yl) 4-[5-[[(3S,6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-6-amino-5-(1H-indol-3-ylmethyl)-1-methoxy-2-methyl-3,6-dioxohexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylamino]-2-oxopentyl]cyclohexane-1-carboxylate;1-hydroxypyrrolidine-2,5-dione;methane
CID 158481452

Frequently Asked Questions

What is the IUPAC name of butan-2-ylbenzene;9-butan-2-ylcarbazole;[3-(2,2-dimethylbutanoyloxy)-2-hydroxypropyl] 3H-indene-1-carboxylate;[4-(9,10-dioxoanthracen-2-yl)-2-hydroxybutyl] 2,2-dimethylbutanoate;2-[(9,10-dioxoanthracen-2-yl)methoxy]ethyl 2,2-dimethylbutanoate;2-[2-(1,3-dioxoisoindol-2-yl)ethoxycarbonylamino]ethyl 2,2-dimethylbutanoate;9-ethylcarbazole;2-(1H-indol-3-yl)ethyl 2,2-dimethylbutanoate?
The IUPAC name of butan-2-ylbenzene;9-butan-2-ylcarbazole;[3-(2,2-dimethylbutanoyloxy)-2-hydroxypropyl] 3H-indene-1-carboxylate;[4-(9,10-dioxoanthracen-2-yl)-2-hydroxybutyl] 2,2-dimethylbutanoate;2-[(9,10-dioxoanthracen-2-yl)methoxy]ethyl 2,2-dimethylbutanoate;2-[2-(1,3-dioxoisoindol-2-yl)ethoxycarbonylamino]ethyl 2,2-dimethylbutanoate;9-ethylcarbazole;2-(1H-indol-3-yl)ethyl 2,2-dimethylbutanoate (CID 160543052) is butan-2-ylbenzene;9-butan-2-ylcarbazole;[3-(2,2-dimethylbutanoyloxy)-2-hydroxypropyl] 3H-indene-1-carboxylate;[4-(9,10-dioxoanthracen-2-yl)-2-hydroxybutyl] 2,2-dimethylbutanoate;2-[(9,10-dioxoanthracen-2-yl)methoxy]ethyl 2,2-dimethylbutanoate;2-[2-(1,3-dioxoisoindol-2-yl)ethoxycarbonylamino]ethyl 2,2-dimethylbutanoate;9-ethylcarbazole;2-(1H-indol-3-yl)ethyl 2,2-dimethylbutanoate.
What is the SMILES notation for butan-2-ylbenzene;9-butan-2-ylcarbazole;[3-(2,2-dimethylbutanoyloxy)-2-hydroxypropyl] 3H-indene-1-carboxylate;[4-(9,10-dioxoanthracen-2-yl)-2-hydroxybutyl] 2,2-dimethylbutanoate;2-[(9,10-dioxoanthracen-2-yl)methoxy]ethyl 2,2-dimethylbutanoate;2-[2-(1,3-dioxoisoindol-2-yl)ethoxycarbonylamino]ethyl 2,2-dimethylbutanoate;9-ethylcarbazole;2-(1H-indol-3-yl)ethyl 2,2-dimethylbutanoate?
The canonical SMILES for butan-2-ylbenzene;9-butan-2-ylcarbazole;[3-(2,2-dimethylbutanoyloxy)-2-hydroxypropyl] 3H-indene-1-carboxylate;[4-(9,10-dioxoanthracen-2-yl)-2-hydroxybutyl] 2,2-dimethylbutanoate;2-[(9,10-dioxoanthracen-2-yl)methoxy]ethyl 2,2-dimethylbutanoate;2-[2-(1,3-dioxoisoindol-2-yl)ethoxycarbonylamino]ethyl 2,2-dimethylbutanoate;9-ethylcarbazole;2-(1H-indol-3-yl)ethyl 2,2-dimethylbutanoate is CCC(C)(C)C(=O)OCC(O)CCc1ccc2c(c1)C(=O)c1ccccc1C2=O.CCC(C)(C)C(=O)OCC(O)COC(=O)C1=CCc2ccccc21.CCC(C)(C)C(=O)OCCNC(=O)OCCN1C(=O)c2ccccc2C1=O.CCC(C)(C)C(=O)OCCOCc1ccc2c(c1)C(=O)c1ccccc1C2=O.CCC(C)(C)C(=O)OCCc1c[nH]c2ccccc12.CCC(C)c1ccccc1.CCC(C)n1c2ccccc2c2ccccc21.CCn1c2ccccc2c2ccccc21.
What is the InChIKey of butan-2-ylbenzene;9-butan-2-ylcarbazole;[3-(2,2-dimethylbutanoyloxy)-2-hydroxypropyl] 3H-indene-1-carboxylate;[4-(9,10-dioxoanthracen-2-yl)-2-hydroxybutyl] 2,2-dimethylbutanoate;2-[(9,10-dioxoanthracen-2-yl)methoxy]ethyl 2,2-dimethylbutanoate;2-[2-(1,3-dioxoisoindol-2-yl)ethoxycarbonylamino]ethyl 2,2-dimethylbutanoate;9-ethylcarbazole;2-(1H-indol-3-yl)ethyl 2,2-dimethylbutanoate?
The InChIKey is QXAWKFHFXBTMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26O5.C23H24O5.C19H24N2O6.C19H24O5.C16H21NO2.C16H17N.C14H13N.C10H14/c1-4-24(2,3)23(28)29-14-16(25)11-9-15-10-12-19-20(13-15)22(27)18-8-6-5-7-17(18)21(19)26;1-4-23(2,3)22(26)28-12-11-27-14-15-9-10-18-19(13-15)21(25)17-8-6-5-7-16(17)20(18)24;1-4-19(2,3)17(24)26-11-9-20-18(25)27-12-10-21-15(22)13-7-5-6-8-14(13)16(21)23;1-4-19(2,3)18(22)24-12-14(20)11-23-17(21)16-10-9-13-7-5-6-8-15(13)16;1-4-16(2,3)15(18)19-10-9-12-11-17-14-8-6-5-7-13(12)14;1-3-12(2)17-15-10-6-4-8-13(15)14-9-5-7-11-16(14)17;1-2-15-13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;1-3-9(2)10-7-5-4-6-8-10/h5-8,10,12-13,16,25H,4,9,11,14H2,1-3H3;5-10,13H,4,11-12,14H2,1-3H3;5-8H,4,9-12H2,1-3H3,(H,20,25);5-8,10,14,20H,4,9,11-12H2,1-3H3;5-8,11,17H,4,9-10H2,1-3H3;4-12H,3H2,1-2H3;3-10H,2H2,1H3;4-9H,3H2,1-2H3.
What are the key properties of butan-2-ylbenzene;9-butan-2-ylcarbazole;[3-(2,2-dimethylbutanoyloxy)-2-hydroxypropyl] 3H-indene-1-carboxylate;[4-(9,10-dioxoanthracen-2-yl)-2-hydroxybutyl] 2,2-dimethylbutanoate;2-[(9,10-dioxoanthracen-2-yl)methoxy]ethyl 2,2-dimethylbutanoate;2-[2-(1,3-dioxoisoindol-2-yl)ethoxycarbonylamino]ethyl 2,2-dimethylbutanoate;9-ethylcarbazole;2-(1H-indol-3-yl)ethyl 2,2-dimethylbutanoate?
butan-2-ylbenzene;9-butan-2-ylcarbazole;[3-(2,2-dimethylbutanoyloxy)-2-hydroxypropyl] 3H-indene-1-carboxylate;[4-(9,10-dioxoanthracen-2-yl)-2-hydroxybutyl] 2,2-dimethylbutanoate;2-[(9,10-dioxoanthracen-2-yl)methoxy]ethyl 2,2-dimethylbutanoate;2-[2-(1,3-dioxoisoindol-2-yl)ethoxycarbonylamino]ethyl 2,2-dimethylbutanoate;9-ethylcarbazole;2-(1H-indol-3-yl)ethyl 2,2-dimethylbutanoate has a molecular weight of 2295.87 g/mol, XLogP of 27.66, 39 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-ylbenzene;9-butan-2-ylcarbazole;[3-(2,2-dimethylbutanoyloxy)-2-hydroxypropyl] 3H-indene-1-carboxylate;[4-(9,10-dioxoanthracen-2-yl)-2-hydroxybutyl] 2,2-dimethylbutanoate;2-[(9,10-dioxoanthracen-2-yl)methoxy]ethyl 2,2-dimethylbutanoate;2-[2-(1,3-dioxoisoindol-2-yl)ethoxycarbonylamino]ethyl 2,2-dimethylbutanoate;9-ethylcarbazole;2-(1H-indol-3-yl)ethyl 2,2-dimethylbutanoate is sourced from PubChem (CID 160543052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).