9-butan-2-ylcarbazole;2-butan-2-ylnaphthalene;bis(1-butoxyethyl 2,2-dimethylbutanoate);1-butoxyethyl 4-(2-methylbutan-2-yl)benzoate;1,2-dimethyl-1,2-dihydroacenaphthylene;methane;oxetan-3-ylmethyl 2,2-dimethylbutanoate;tris(oxiran-2-ylmethyl 2,2-dimethylbutanoate);1-phenoxyethyl 2,2-dimethylbutanoate

C149H257NO24 — CID 157422345

IUPAC9-butan-2-ylcarbazole;2-butan-2-ylnaphthalene;bis(1-butoxyethyl 2,2-dimethylbutanoate);1-butoxyethyl 4-(2-methylbutan-2-yl)benzoate;1,2-dimethyl-1,2-dihydroacenaphthylene;methane;oxetan-3-ylmethyl 2,2-dimethylbutanoate;tris(oxiran-2-ylmethyl 2,2-dimethylbutanoate);1-phenoxyethyl 2,2-dimethylbutanoate
SMILESC.C.C.C.C.C.C.C.C.C.C.C.CC1c2cccc3cccc(c23)C1C.CCC(C)(C)C(=O)OC(C)Oc1ccccc1.CCC(C)(C)C(=O)OCC1CO1.CCC(C)(C)C(=O)OCC1CO1.CCC(C)(C)C(=O)OCC1CO1.CCC(C)(C)C(=O)OCC1COC1.CCC(C)c1ccc2ccccc2c1.CCC(C)n1c2ccccc2c2ccccc21.CCCCOC(C)OC(=O)C(C)(C)CC.CCCCOC(C)OC(=O)C(C)(C)CC.CCCCOC(C)OC(=O)c1ccc(C(C)(C)CC)cc1
InChIInChI=1S/C18H28O3.C16H17N.C14H20O3.C14H14.C14H16.2C12H24O3.C10H18O3.3C9H16O3.12CH4/c1-6-8-13-20-14(3)21-17(19)15-9-11-16(12-10-15)18(4,5)7-2;1-3-12(2)17-15-10-6-4-8-13(15)14-9-5-7-11-16(14)17;1-5-14(3,4)13(15)17-11(2)16-12-9-7-6-8-10-12;1-9-10(2)13-8-4-6-11-5-3-7-12(9)14(11)13;1-3-11(2)13-9-8-12-6-4-5-7-14(12)10-13;2*1-6-8-9-14-10(3)15-11(13)12(4,5)7-2;1-4-10(2,3)9(11)13-7-8-5-12-6-8;3*1-4-9(2,3)8(10)12-6-7-5-11-7;;;;;;;;;;;;/h9-12,14H,6-8,13H2,1-5H3;4-12H,3H2,1-2H3;6-11H,5H2,1-4H3;3-10H,1-2H3;4-11H,3H2,1-2H3;2*10H,6-9H2,1-5H3;8H,4-7H2,1-3H3;3*7H,4-6H2,1-3H3;12*1H4
InChIKeyBPODOZQRBAIERW-UHFFFAOYSA-N
MW2446.68 g/mol
LogP40.86
Rot. Bonds47

About 9-butan-2-ylcarbazole;2-butan-2-ylnaphthalene;bis(1-butoxyethyl 2,2-dimethylbutanoate);1-butoxyethyl 4-(2-methylbutan-2-yl)benzoate;1,2-dimethyl-1,2-dihydroacenaphthylene;methane;oxetan-3-ylmethyl 2,2-dimethylbutanoate;tris(oxiran-2-ylmethyl 2,2-dimethylbutanoate);1-phenoxyethyl 2,2-dimethylbutanoate

9-butan-2-ylcarbazole;2-butan-2-ylnaphthalene;bis(1-butoxyethyl 2,2-dimethylbutanoate);1-butoxyethyl 4-(2-methylbutan-2-yl)benzoate;1,2-dimethyl-1,2-dihydroacenaphthylene;methane;oxetan-3-ylmethyl 2,2-dimethylbutanoate;tris(oxiran-2-ylmethyl 2,2-dimethylbutanoate);1-phenoxyethyl 2,2-dimethylbutanoate (PubChem CID 157422345) has the molecular formula C149H257NO24 and a molecular weight of 2446.68 g/mol. Its IUPAC name is 9-butan-2-ylcarbazole;2-butan-2-ylnaphthalene;bis(1-butoxyethyl 2,2-dimethylbutanoate);1-butoxyethyl 4-(2-methylbutan-2-yl)benzoate;1,2-dimethyl-1,2-dihydroacenaphthylene;methane;oxetan-3-ylmethyl 2,2-dimethylbutanoate;tris(oxiran-2-ylmethyl 2,2-dimethylbutanoate);1-phenoxyethyl 2,2-dimethylbutanoate.

Molecular Properties

Compound Name9-butan-2-ylcarbazole;2-butan-2-ylnaphthalene;bis(1-butoxyethyl 2,2-dimethylbutanoate);1-butoxyethyl 4-(2-methylbutan-2-yl)benzoate;1,2-dimethyl-1,2-dihydroacenaphthylene;methane;oxetan-3-ylmethyl 2,2-dimethylbutanoate;tris(oxiran-2-ylmethyl 2,2-dimethylbutanoate);1-phenoxyethyl 2,2-dimethylbutanoate
PubChem CID157422345
Molecular FormulaC149H257NO24
Molecular Weight2446.68 g/mol
Exact Mass2444.89
IUPAC Name9-butan-2-ylcarbazole;2-butan-2-ylnaphthalene;bis(1-butoxyethyl 2,2-dimethylbutanoate);1-butoxyethyl 4-(2-methylbutan-2-yl)benzoate;1,2-dimethyl-1,2-dihydroacenaphthylene;methane;oxetan-3-ylmethyl 2,2-dimethylbutanoate;tris(oxiran-2-ylmethyl 2,2-dimethylbutanoate);1-phenoxyethyl 2,2-dimethylbutanoate
SMILESC.C.C.C.C.C.C.C.C.C.C.C.CC1c2cccc3cccc(c23)C1C.CCC(C)(C)C(=O)OC(C)Oc1ccccc1.CCC(C)(C)C(=O)OCC1CO1.CCC(C)(C)C(=O)OCC1CO1.CCC(C)(C)C(=O)OCC1CO1.CCC(C)(C)C(=O)OCC1COC1.CCC(C)c1ccc2ccccc2c1.CCC(C)n1c2ccccc2c2ccccc21.CCCCOC(C)OC(=O)C(C)(C)CC.CCCCOC(C)OC(=O)C(C)(C)CC.CCCCOC(C)OC(=O)c1ccc(C(C)(C)CC)cc1
InChIInChI=1S/C18H28O3.C16H17N.C14H20O3.C14H14.C14H16.2C12H24O3.C10H18O3.3C9H16O3.12CH4/c1-6-8-13-20-14(3)21-17(19)15-9-11-16(12-10-15)18(4,5)7-2;1-3-12(2)17-15-10-6-4-8-13(15)14-9-5-7-11-16(14)17;1-5-14(3,4)13(15)17-11(2)16-12-9-7-6-8-10-12;1-9-10(2)13-8-4-6-11-5-3-7-12(9)14(11)13;1-3-11(2)13-9-8-12-6-4-5-7-14(12)10-13;2*1-6-8-9-14-10(3)15-11(13)12(4,5)7-2;1-4-10(2,3)9(11)13-7-8-5-12-6-8;3*1-4-9(2,3)8(10)12-6-7-5-11-7;;;;;;;;;;;;/h9-12,14H,6-8,13H2,1-5H3;4-12H,3H2,1-2H3;6-11H,5H2,1-4H3;3-10H,1-2H3;4-11H,3H2,1-2H3;2*10H,6-9H2,1-5H3;8H,4-7H2,1-3H3;3*7H,4-6H2,1-3H3;12*1H4
InChIKeyBPODOZQRBAIERW-UHFFFAOYSA-N
XLogP40.86
TPSA299.07 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds47
Heavy Atoms174
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002446.68
LogP ≤ 540.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

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

Analyze 9-butan-2-ylcarbazole;2-butan-2-ylnaphthalene;bis(1-butoxyethyl 2,2-dimethylbutanoate);1-butoxyethyl 4-(2-methylbutan-2-yl)benzoate;1,2-dimethyl-1,2-dihydroacenaphthylene;methane;oxetan-3-ylmethyl 2,2-dimethylbutanoate;tris(oxiran-2-ylmethyl 2,2-dimethylbutanoate);1-phenoxyethyl 2,2-dimethylbutanoate with MolForge

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Related Compounds

butan-2-ylbenzene;1,2-dimethyl-1,2-dihydroacenaphthylene;1-ethoxyethyl 4-(2-methylbutan-2-yl)benzoate;methane;molecular hydrogen;oxiran-2-ylmethyl 2,2-dimethylbutanoate
CID 161050991
6-butan-2-ylnaphthalen-2-ol;1,2-dihydroacenaphthylen-1-yl 2,2-dimethylbutanoate;1,2-dimethyl-1,2-dihydroacenaphthylene
CID 158055740
butan-2-ylbenzene;ethane;2-(3-methoxypropoxycarbonyloxy)ethyl 2,2-dimethylbutanoate;oxiran-2-ylmethyl 2,2-dimethylbutanoate
CID 157382303
butan-2-ylbenzene;2-butan-2-ylnaphthalene;hexakis(4-butan-2-ylphenol);1-butan-2-yl-4-phenylbenzene;1-butan-2-yl-4-phenylmethoxybenzene;(4-butan-2-ylphenyl) naphthalene-2-carboxylate;pentakis(1,2-dimethyl-1,2-dihydroacenaphthylene)
CID 159039776
2-[1-(2-bromo-4-butan-2-ylphenoxy)ethoxy]ethyl acetate;2-[2-[1-(4-butan-2-ylphenoxy)ethoxy]ethoxy]-1,3-diphenylbenzene;1-[2-[1-(4-butan-2-ylphenoxy)ethoxy]ethoxy]naphthalene;2-[1-(4-butan-2-ylphenoxy)propoxy]ethyl acetate;2-[1-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]ethyl benzoate
CID 158620880
butan-2-ylbenzene;1-butan-2-ylnaphthalene;2-butan-2-ylnaphthalene;2-butan-2-ylphenol;3-butan-2-ylphenol;4-butan-2-ylphenol;ethane;methane;naphthalen-2-yl 2,2-dimethylbutanoate;phenyl 2,2-dimethylbutanoate
CID 158585618
hexakis(butan-2-ylbenzene);1-butan-2-yl-4-[(2-methylpropan-2-yl)oxy]benzene;2-hydroxyethyl 2,2-dimethylbutanoate;bis(2-hydroxyethyl 2-methylbutanoate);2-hydroxypropyl 2,2-dimethylbutanoate;oxiran-2-ylmethyl 2,2-dimethylbutanoate
CID 158615530
butan-2-ylbenzene;butyl 2,2-dimethylbutanoate;butyl 2-methylbutanoate;2-methylbutan-2-ylbenzene;methyl 2-methylbutanoate
CID 159004277
4-butan-2-ylbenzenesulfonate;bis(4-(2,2-dimethylbutanoyloxy)benzenesulfonate);1,2-dimethyl-1,2-dihydroacenaphthylene;tris((4-hydroxyphenyl) 2,2-dimethylbutanoate);bis(10-phenylphenoxathiin-10-ium);triphenylsulfanium
CID 161354914
anthracen-9-yl 2,2-dimethylbutanoate;1,2-dimethyl-1,2-dihydroacenaphthylene;ethane;naphthalen-2-yl 2-methylbutanoate;naphthalen-2-ylmethyl 2,2-dimethylbutanoate;(4-phenylphenyl) 2,2-dimethylbutanoate;(4-phenylphenyl) 2-methylbutanoate
CID 158649996
2-butan-2-yl-6-[1-(naphthalen-1-ylmethoxy)-2-phenoxyethoxy]naphthalene;4-butan-2-ylphenol;2-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;[2-(4-butan-2-ylphenoxy)-2-ethoxyethyl] adamantane-1-carboxylate;8-[1-(4-butan-2-ylphenoxy)-2-methyl-2-phenoxypropoxy]tricyclo[5.2.1.02,6]decane;1,2-dimethyl-1,2-dihydroacenaphthylene;2,4-dimethyl-2-(thiolan-1-ium-1-yl)pentan-3-one;(6-hydroxynaphthalen-2-yl) 2,2-dimethylbutanoate;(4-hydroxyphenyl) 2,2-dimethylbutanoate
CID 161205872
1-butan-2-yl-4-(1-methoxy-2-methylpropoxy)benzene;4-butan-2-ylphenol;1,2-dimethyl-1,2-dihydroacenaphthylene
CID 162237214

Frequently Asked Questions

What is the IUPAC name of 9-butan-2-ylcarbazole;2-butan-2-ylnaphthalene;bis(1-butoxyethyl 2,2-dimethylbutanoate);1-butoxyethyl 4-(2-methylbutan-2-yl)benzoate;1,2-dimethyl-1,2-dihydroacenaphthylene;methane;oxetan-3-ylmethyl 2,2-dimethylbutanoate;tris(oxiran-2-ylmethyl 2,2-dimethylbutanoate);1-phenoxyethyl 2,2-dimethylbutanoate?
The IUPAC name of 9-butan-2-ylcarbazole;2-butan-2-ylnaphthalene;bis(1-butoxyethyl 2,2-dimethylbutanoate);1-butoxyethyl 4-(2-methylbutan-2-yl)benzoate;1,2-dimethyl-1,2-dihydroacenaphthylene;methane;oxetan-3-ylmethyl 2,2-dimethylbutanoate;tris(oxiran-2-ylmethyl 2,2-dimethylbutanoate);1-phenoxyethyl 2,2-dimethylbutanoate (CID 157422345) is 9-butan-2-ylcarbazole;2-butan-2-ylnaphthalene;bis(1-butoxyethyl 2,2-dimethylbutanoate);1-butoxyethyl 4-(2-methylbutan-2-yl)benzoate;1,2-dimethyl-1,2-dihydroacenaphthylene;methane;oxetan-3-ylmethyl 2,2-dimethylbutanoate;tris(oxiran-2-ylmethyl 2,2-dimethylbutanoate);1-phenoxyethyl 2,2-dimethylbutanoate.
What is the SMILES notation for 9-butan-2-ylcarbazole;2-butan-2-ylnaphthalene;bis(1-butoxyethyl 2,2-dimethylbutanoate);1-butoxyethyl 4-(2-methylbutan-2-yl)benzoate;1,2-dimethyl-1,2-dihydroacenaphthylene;methane;oxetan-3-ylmethyl 2,2-dimethylbutanoate;tris(oxiran-2-ylmethyl 2,2-dimethylbutanoate);1-phenoxyethyl 2,2-dimethylbutanoate?
The canonical SMILES for 9-butan-2-ylcarbazole;2-butan-2-ylnaphthalene;bis(1-butoxyethyl 2,2-dimethylbutanoate);1-butoxyethyl 4-(2-methylbutan-2-yl)benzoate;1,2-dimethyl-1,2-dihydroacenaphthylene;methane;oxetan-3-ylmethyl 2,2-dimethylbutanoate;tris(oxiran-2-ylmethyl 2,2-dimethylbutanoate);1-phenoxyethyl 2,2-dimethylbutanoate is C.C.C.C.C.C.C.C.C.C.C.C.CC1c2cccc3cccc(c23)C1C.CCC(C)(C)C(=O)OC(C)Oc1ccccc1.CCC(C)(C)C(=O)OCC1CO1.CCC(C)(C)C(=O)OCC1CO1.CCC(C)(C)C(=O)OCC1CO1.CCC(C)(C)C(=O)OCC1COC1.CCC(C)c1ccc2ccccc2c1.CCC(C)n1c2ccccc2c2ccccc21.CCCCOC(C)OC(=O)C(C)(C)CC.CCCCOC(C)OC(=O)C(C)(C)CC.CCCCOC(C)OC(=O)c1ccc(C(C)(C)CC)cc1.
What is the InChIKey of 9-butan-2-ylcarbazole;2-butan-2-ylnaphthalene;bis(1-butoxyethyl 2,2-dimethylbutanoate);1-butoxyethyl 4-(2-methylbutan-2-yl)benzoate;1,2-dimethyl-1,2-dihydroacenaphthylene;methane;oxetan-3-ylmethyl 2,2-dimethylbutanoate;tris(oxiran-2-ylmethyl 2,2-dimethylbutanoate);1-phenoxyethyl 2,2-dimethylbutanoate?
The InChIKey is BPODOZQRBAIERW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O3.C16H17N.C14H20O3.C14H14.C14H16.2C12H24O3.C10H18O3.3C9H16O3.12CH4/c1-6-8-13-20-14(3)21-17(19)15-9-11-16(12-10-15)18(4,5)7-2;1-3-12(2)17-15-10-6-4-8-13(15)14-9-5-7-11-16(14)17;1-5-14(3,4)13(15)17-11(2)16-12-9-7-6-8-10-12;1-9-10(2)13-8-4-6-11-5-3-7-12(9)14(11)13;1-3-11(2)13-9-8-12-6-4-5-7-14(12)10-13;2*1-6-8-9-14-10(3)15-11(13)12(4,5)7-2;1-4-10(2,3)9(11)13-7-8-5-12-6-8;3*1-4-9(2,3)8(10)12-6-7-5-11-7;;;;;;;;;;;;/h9-12,14H,6-8,13H2,1-5H3;4-12H,3H2,1-2H3;6-11H,5H2,1-4H3;3-10H,1-2H3;4-11H,3H2,1-2H3;2*10H,6-9H2,1-5H3;8H,4-7H2,1-3H3;3*7H,4-6H2,1-3H3;12*1H4.
What are the key properties of 9-butan-2-ylcarbazole;2-butan-2-ylnaphthalene;bis(1-butoxyethyl 2,2-dimethylbutanoate);1-butoxyethyl 4-(2-methylbutan-2-yl)benzoate;1,2-dimethyl-1,2-dihydroacenaphthylene;methane;oxetan-3-ylmethyl 2,2-dimethylbutanoate;tris(oxiran-2-ylmethyl 2,2-dimethylbutanoate);1-phenoxyethyl 2,2-dimethylbutanoate?
9-butan-2-ylcarbazole;2-butan-2-ylnaphthalene;bis(1-butoxyethyl 2,2-dimethylbutanoate);1-butoxyethyl 4-(2-methylbutan-2-yl)benzoate;1,2-dimethyl-1,2-dihydroacenaphthylene;methane;oxetan-3-ylmethyl 2,2-dimethylbutanoate;tris(oxiran-2-ylmethyl 2,2-dimethylbutanoate);1-phenoxyethyl 2,2-dimethylbutanoate has a molecular weight of 2446.68 g/mol, XLogP of 40.86, 47 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 9-butan-2-ylcarbazole;2-butan-2-ylnaphthalene;bis(1-butoxyethyl 2,2-dimethylbutanoate);1-butoxyethyl 4-(2-methylbutan-2-yl)benzoate;1,2-dimethyl-1,2-dihydroacenaphthylene;methane;oxetan-3-ylmethyl 2,2-dimethylbutanoate;tris(oxiran-2-ylmethyl 2,2-dimethylbutanoate);1-phenoxyethyl 2,2-dimethylbutanoate is sourced from PubChem (CID 157422345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).