10-(2,2-dimethylbutanoyloxy)decyl naphthalene-2-carboxylate;6-(2,2-dimethylbutanoyloxy)hexyl naphthalene-2-carboxylate;8-(2,2-dimethylbutanoyloxy)octyl naphthalene-1-carboxylate;6-(2-methylbutanoyloxy)hexyl naphthalene-2-carboxylate;10-(2-naphthalen-2-ylacetyl)oxydecyl 2,2-dimethylbutanoate;6-(2-naphthalen-1-ylacetyl)oxyhexyl 2-methylbutanoate

C148H200O24 — CID 160625415

IUPAC10-(2,2-dimethylbutanoyloxy)decyl naphthalene-2-carboxylate;6-(2,2-dimethylbutanoyloxy)hexyl naphthalene-2-carboxylate;8-(2,2-dimethylbutanoyloxy)octyl naphthalene-1-carboxylate;6-(2-methylbutanoyloxy)hexyl naphthalene-2-carboxylate;10-(2-naphthalen-2-ylacetyl)oxydecyl 2,2-dimethylbutanoate;6-(2-naphthalen-1-ylacetyl)oxyhexyl 2-methylbutanoate
SMILESCCC(C)(C)C(=O)OCCCCCCCCCCOC(=O)Cc1ccc2ccccc2c1.CCC(C)(C)C(=O)OCCCCCCCCCCOC(=O)c1ccc2ccccc2c1.CCC(C)(C)C(=O)OCCCCCCCCOC(=O)c1cccc2ccccc12.CCC(C)(C)C(=O)OCCCCCCOC(=O)c1ccc2ccccc2c1.CCC(C)C(=O)OCCCCCCOC(=O)Cc1cccc2ccccc12.CCC(C)C(=O)OCCCCCCOC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C28H40O4.C27H38O4.C25H34O4.2C23H30O4.C22H28O4/c1-4-28(2,3)27(30)32-20-14-10-8-6-5-7-9-13-19-31-26(29)22-23-17-18-24-15-11-12-16-25(24)21-23;1-4-27(2,3)26(29)31-20-14-10-8-6-5-7-9-13-19-30-25(28)24-18-17-22-15-11-12-16-23(22)21-24;1-4-25(2,3)24(27)29-19-12-8-6-5-7-11-18-28-23(26)22-17-13-15-20-14-9-10-16-21(20)22;1-4-23(2,3)22(25)27-16-10-6-5-9-15-26-21(24)20-14-13-18-11-7-8-12-19(18)17-20;1-3-18(2)23(25)27-16-9-5-4-8-15-26-22(24)17-20-13-10-12-19-11-6-7-14-21(19)20;1-3-17(2)21(23)25-14-8-4-5-9-15-26-22(24)20-13-12-18-10-6-7-11-19(18)16-20/h11-12,15-18,21H,4-10,13-14,19-20,22H2,1-3H3;11-12,15-18,21H,4-10,13-14,19-20H2,1-3H3;9-10,13-17H,4-8,11-12,18-19H2,1-3H3;7-8,11-14,17H,4-6,9-10,15-16H2,1-3H3;6-7,10-14,18H,3-5,8-9,15-17H2,1-2H3;6-7,10-13,16-17H,3-5,8-9,14-15H2,1-2H3
InChIKeyRHFUKVIFMKVUFF-UHFFFAOYSA-N
MW2363.20 g/mol
LogP36.20
Rot. Bonds72

About 10-(2,2-dimethylbutanoyloxy)decyl naphthalene-2-carboxylate;6-(2,2-dimethylbutanoyloxy)hexyl naphthalene-2-carboxylate;8-(2,2-dimethylbutanoyloxy)octyl naphthalene-1-carboxylate;6-(2-methylbutanoyloxy)hexyl naphthalene-2-carboxylate;10-(2-naphthalen-2-ylacetyl)oxydecyl 2,2-dimethylbutanoate;6-(2-naphthalen-1-ylacetyl)oxyhexyl 2-methylbutanoate

10-(2,2-dimethylbutanoyloxy)decyl naphthalene-2-carboxylate;6-(2,2-dimethylbutanoyloxy)hexyl naphthalene-2-carboxylate;8-(2,2-dimethylbutanoyloxy)octyl naphthalene-1-carboxylate;6-(2-methylbutanoyloxy)hexyl naphthalene-2-carboxylate;10-(2-naphthalen-2-ylacetyl)oxydecyl 2,2-dimethylbutanoate;6-(2-naphthalen-1-ylacetyl)oxyhexyl 2-methylbutanoate (PubChem CID 160625415) has the molecular formula C148H200O24 and a molecular weight of 2363.20 g/mol. Its IUPAC name is 10-(2,2-dimethylbutanoyloxy)decyl naphthalene-2-carboxylate;6-(2,2-dimethylbutanoyloxy)hexyl naphthalene-2-carboxylate;8-(2,2-dimethylbutanoyloxy)octyl naphthalene-1-carboxylate;6-(2-methylbutanoyloxy)hexyl naphthalene-2-carboxylate;10-(2-naphthalen-2-ylacetyl)oxydecyl 2,2-dimethylbutanoate;6-(2-naphthalen-1-ylacetyl)oxyhexyl 2-methylbutanoate.

Molecular Properties

Compound Name10-(2,2-dimethylbutanoyloxy)decyl naphthalene-2-carboxylate;6-(2,2-dimethylbutanoyloxy)hexyl naphthalene-2-carboxylate;8-(2,2-dimethylbutanoyloxy)octyl naphthalene-1-carboxylate;6-(2-methylbutanoyloxy)hexyl naphthalene-2-carboxylate;10-(2-naphthalen-2-ylacetyl)oxydecyl 2,2-dimethylbutanoate;6-(2-naphthalen-1-ylacetyl)oxyhexyl 2-methylbutanoate
PubChem CID160625415
Molecular FormulaC148H200O24
Molecular Weight2363.20 g/mol
Exact Mass2361.44
IUPAC Name10-(2,2-dimethylbutanoyloxy)decyl naphthalene-2-carboxylate;6-(2,2-dimethylbutanoyloxy)hexyl naphthalene-2-carboxylate;8-(2,2-dimethylbutanoyloxy)octyl naphthalene-1-carboxylate;6-(2-methylbutanoyloxy)hexyl naphthalene-2-carboxylate;10-(2-naphthalen-2-ylacetyl)oxydecyl 2,2-dimethylbutanoate;6-(2-naphthalen-1-ylacetyl)oxyhexyl 2-methylbutanoate
SMILESCCC(C)(C)C(=O)OCCCCCCCCCCOC(=O)Cc1ccc2ccccc2c1.CCC(C)(C)C(=O)OCCCCCCCCCCOC(=O)c1ccc2ccccc2c1.CCC(C)(C)C(=O)OCCCCCCCCOC(=O)c1cccc2ccccc12.CCC(C)(C)C(=O)OCCCCCCOC(=O)c1ccc2ccccc2c1.CCC(C)C(=O)OCCCCCCOC(=O)Cc1cccc2ccccc12.CCC(C)C(=O)OCCCCCCOC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C28H40O4.C27H38O4.C25H34O4.2C23H30O4.C22H28O4/c1-4-28(2,3)27(30)32-20-14-10-8-6-5-7-9-13-19-31-26(29)22-23-17-18-24-15-11-12-16-25(24)21-23;1-4-27(2,3)26(29)31-20-14-10-8-6-5-7-9-13-19-30-25(28)24-18-17-22-15-11-12-16-23(22)21-24;1-4-25(2,3)24(27)29-19-12-8-6-5-7-11-18-28-23(26)22-17-13-15-20-14-9-10-16-21(20)22;1-4-23(2,3)22(25)27-16-10-6-5-9-15-26-21(24)20-14-13-18-11-7-8-12-19(18)17-20;1-3-18(2)23(25)27-16-9-5-4-8-15-26-22(24)17-20-13-10-12-19-11-6-7-14-21(19)20;1-3-17(2)21(23)25-14-8-4-5-9-15-26-22(24)20-13-12-18-10-6-7-11-19(18)16-20/h11-12,15-18,21H,4-10,13-14,19-20,22H2,1-3H3;11-12,15-18,21H,4-10,13-14,19-20H2,1-3H3;9-10,13-17H,4-8,11-12,18-19H2,1-3H3;7-8,11-14,17H,4-6,9-10,15-16H2,1-3H3;6-7,10-14,18H,3-5,8-9,15-17H2,1-2H3;6-7,10-13,16-17H,3-5,8-9,14-15H2,1-2H3
InChIKeyRHFUKVIFMKVUFF-UHFFFAOYSA-N
XLogP36.20
TPSA315.60 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds72
Heavy Atoms172
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002363.20
LogP ≤ 536.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 10-(2,2-dimethylbutanoyloxy)decyl naphthalene-2-carboxylate;6-(2,2-dimethylbutanoyloxy)hexyl naphthalene-2-carboxylate;8-(2,2-dimethylbutanoyloxy)octyl naphthalene-1-carboxylate;6-(2-methylbutanoyloxy)hexyl naphthalene-2-carboxylate;10-(2-naphthalen-2-ylacetyl)oxydecyl 2,2-dimethylbutanoate;6-(2-naphthalen-1-ylacetyl)oxyhexyl 2-methylbutanoate with MolForge

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Related Compounds

6-(2,2-dimethylbutanoyloxy)hexyl naphthalene-2-carboxylate
CID 130432808
2-[2-(2-methylbutanoyloxy)ethoxy]ethyl naphthalene-2-carboxylate
CID 23531659
6-[2-(2,2-dimethylbutanoyloxy)ethoxycarbonyl]naphthalene-2,3-dicarboxylic acid
CID 58705002
azane;dodecyl naphthalene-1-carboxylate
CID 172795658
hexyl 2-(6-acetylnaphthalen-2-yl)acetate
CID 21412609
3-(2-naphthalen-1-ylacetyl)oxypropyl 2-naphthalen-1-ylacetate
CID 7503589
6-anthracen-9-ylhexyl 2,2-dimethylbutanoate
CID 123366301
[4-[2-(2,2-dimethylbutanoyloxy)ethoxy]-3,5-dimethylphenyl]-diphenylsulfanium;[4-[2-(2,2-dimethylbutanoyloxy)ethoxy]phenyl]-diphenylsulfanium;[4-[2-(2-methylbutanoyloxy)ethoxy]phenyl]-diphenylsulfanium
CID 161404527
[(E)-10-(4-ethoxycarbonylphenyl)dec-8-enyl] naphthalene-1-carboxylate
CID 162393403
butyl-ethyl-[2-(naphthalene-1-carbonyloxy)ethyl]-propylazanium;butyl-ethyl-[2-(naphthalene-2-carbonyloxy)ethyl]-propylazanium;ethyl-[2-(naphthalene-1-carbonyloxy)ethyl]-dipropylazanium;ethyl-[2-(naphthalene-2-carbonyloxy)ethyl]-dipropylazanium;triethyl-[2-(naphthalene-1-carbonyloxy)ethyl]azanium;trimethyl-[2-(naphthalene-1-carbonyloxy)ethyl]azanium
CID 161261398
2-methylbutan-1-ol;2-methylbutyl naphthalene-2-carboxylate;propyl 2-methylbutanoate
CID 54391249
butyl 2-methyl-3-naphthalen-2-ylpropanoate
CID 102047735

Frequently Asked Questions

What is the IUPAC name of 10-(2,2-dimethylbutanoyloxy)decyl naphthalene-2-carboxylate;6-(2,2-dimethylbutanoyloxy)hexyl naphthalene-2-carboxylate;8-(2,2-dimethylbutanoyloxy)octyl naphthalene-1-carboxylate;6-(2-methylbutanoyloxy)hexyl naphthalene-2-carboxylate;10-(2-naphthalen-2-ylacetyl)oxydecyl 2,2-dimethylbutanoate;6-(2-naphthalen-1-ylacetyl)oxyhexyl 2-methylbutanoate?
The IUPAC name of 10-(2,2-dimethylbutanoyloxy)decyl naphthalene-2-carboxylate;6-(2,2-dimethylbutanoyloxy)hexyl naphthalene-2-carboxylate;8-(2,2-dimethylbutanoyloxy)octyl naphthalene-1-carboxylate;6-(2-methylbutanoyloxy)hexyl naphthalene-2-carboxylate;10-(2-naphthalen-2-ylacetyl)oxydecyl 2,2-dimethylbutanoate;6-(2-naphthalen-1-ylacetyl)oxyhexyl 2-methylbutanoate (CID 160625415) is 10-(2,2-dimethylbutanoyloxy)decyl naphthalene-2-carboxylate;6-(2,2-dimethylbutanoyloxy)hexyl naphthalene-2-carboxylate;8-(2,2-dimethylbutanoyloxy)octyl naphthalene-1-carboxylate;6-(2-methylbutanoyloxy)hexyl naphthalene-2-carboxylate;10-(2-naphthalen-2-ylacetyl)oxydecyl 2,2-dimethylbutanoate;6-(2-naphthalen-1-ylacetyl)oxyhexyl 2-methylbutanoate.
What is the SMILES notation for 10-(2,2-dimethylbutanoyloxy)decyl naphthalene-2-carboxylate;6-(2,2-dimethylbutanoyloxy)hexyl naphthalene-2-carboxylate;8-(2,2-dimethylbutanoyloxy)octyl naphthalene-1-carboxylate;6-(2-methylbutanoyloxy)hexyl naphthalene-2-carboxylate;10-(2-naphthalen-2-ylacetyl)oxydecyl 2,2-dimethylbutanoate;6-(2-naphthalen-1-ylacetyl)oxyhexyl 2-methylbutanoate?
The canonical SMILES for 10-(2,2-dimethylbutanoyloxy)decyl naphthalene-2-carboxylate;6-(2,2-dimethylbutanoyloxy)hexyl naphthalene-2-carboxylate;8-(2,2-dimethylbutanoyloxy)octyl naphthalene-1-carboxylate;6-(2-methylbutanoyloxy)hexyl naphthalene-2-carboxylate;10-(2-naphthalen-2-ylacetyl)oxydecyl 2,2-dimethylbutanoate;6-(2-naphthalen-1-ylacetyl)oxyhexyl 2-methylbutanoate is CCC(C)(C)C(=O)OCCCCCCCCCCOC(=O)Cc1ccc2ccccc2c1.CCC(C)(C)C(=O)OCCCCCCCCCCOC(=O)c1ccc2ccccc2c1.CCC(C)(C)C(=O)OCCCCCCCCOC(=O)c1cccc2ccccc12.CCC(C)(C)C(=O)OCCCCCCOC(=O)c1ccc2ccccc2c1.CCC(C)C(=O)OCCCCCCOC(=O)Cc1cccc2ccccc12.CCC(C)C(=O)OCCCCCCOC(=O)c1ccc2ccccc2c1.
What is the InChIKey of 10-(2,2-dimethylbutanoyloxy)decyl naphthalene-2-carboxylate;6-(2,2-dimethylbutanoyloxy)hexyl naphthalene-2-carboxylate;8-(2,2-dimethylbutanoyloxy)octyl naphthalene-1-carboxylate;6-(2-methylbutanoyloxy)hexyl naphthalene-2-carboxylate;10-(2-naphthalen-2-ylacetyl)oxydecyl 2,2-dimethylbutanoate;6-(2-naphthalen-1-ylacetyl)oxyhexyl 2-methylbutanoate?
The InChIKey is RHFUKVIFMKVUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40O4.C27H38O4.C25H34O4.2C23H30O4.C22H28O4/c1-4-28(2,3)27(30)32-20-14-10-8-6-5-7-9-13-19-31-26(29)22-23-17-18-24-15-11-12-16-25(24)21-23;1-4-27(2,3)26(29)31-20-14-10-8-6-5-7-9-13-19-30-25(28)24-18-17-22-15-11-12-16-23(22)21-24;1-4-25(2,3)24(27)29-19-12-8-6-5-7-11-18-28-23(26)22-17-13-15-20-14-9-10-16-21(20)22;1-4-23(2,3)22(25)27-16-10-6-5-9-15-26-21(24)20-14-13-18-11-7-8-12-19(18)17-20;1-3-18(2)23(25)27-16-9-5-4-8-15-26-22(24)17-20-13-10-12-19-11-6-7-14-21(19)20;1-3-17(2)21(23)25-14-8-4-5-9-15-26-22(24)20-13-12-18-10-6-7-11-19(18)16-20/h11-12,15-18,21H,4-10,13-14,19-20,22H2,1-3H3;11-12,15-18,21H,4-10,13-14,19-20H2,1-3H3;9-10,13-17H,4-8,11-12,18-19H2,1-3H3;7-8,11-14,17H,4-6,9-10,15-16H2,1-3H3;6-7,10-14,18H,3-5,8-9,15-17H2,1-2H3;6-7,10-13,16-17H,3-5,8-9,14-15H2,1-2H3.
What are the key properties of 10-(2,2-dimethylbutanoyloxy)decyl naphthalene-2-carboxylate;6-(2,2-dimethylbutanoyloxy)hexyl naphthalene-2-carboxylate;8-(2,2-dimethylbutanoyloxy)octyl naphthalene-1-carboxylate;6-(2-methylbutanoyloxy)hexyl naphthalene-2-carboxylate;10-(2-naphthalen-2-ylacetyl)oxydecyl 2,2-dimethylbutanoate;6-(2-naphthalen-1-ylacetyl)oxyhexyl 2-methylbutanoate?
10-(2,2-dimethylbutanoyloxy)decyl naphthalene-2-carboxylate;6-(2,2-dimethylbutanoyloxy)hexyl naphthalene-2-carboxylate;8-(2,2-dimethylbutanoyloxy)octyl naphthalene-1-carboxylate;6-(2-methylbutanoyloxy)hexyl naphthalene-2-carboxylate;10-(2-naphthalen-2-ylacetyl)oxydecyl 2,2-dimethylbutanoate;6-(2-naphthalen-1-ylacetyl)oxyhexyl 2-methylbutanoate has a molecular weight of 2363.20 g/mol, XLogP of 36.20, 72 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2,2-dimethylbutanoyloxy)decyl naphthalene-2-carboxylate;6-(2,2-dimethylbutanoyloxy)hexyl naphthalene-2-carboxylate;8-(2,2-dimethylbutanoyloxy)octyl naphthalene-1-carboxylate;6-(2-methylbutanoyloxy)hexyl naphthalene-2-carboxylate;10-(2-naphthalen-2-ylacetyl)oxydecyl 2,2-dimethylbutanoate;6-(2-naphthalen-1-ylacetyl)oxyhexyl 2-methylbutanoate is sourced from PubChem (CID 160625415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).