butyl 2-methylbutanoate;2-(2-methoxyethoxy)ethyl 2,2-dimethylbutanoate;bis(octyl 2,2-dimethylbutanoate);bis(propyl 2,2-dimethylbutanoate);propyl 2-methylbutanoate;pentakis(N,N,2-trimethylbutanamide)

C109H223N5O21 — CID 158422927

IUPACbutyl 2-methylbutanoate;2-(2-methoxyethoxy)ethyl 2,2-dimethylbutanoate;bis(octyl 2,2-dimethylbutanoate);bis(propyl 2,2-dimethylbutanoate);propyl 2-methylbutanoate;pentakis(N,N,2-trimethylbutanamide)
SMILESCCC(C)(C)C(=O)OCCOCCOC.CCC(C)C(=O)N(C)C.CCC(C)C(=O)N(C)C.CCC(C)C(=O)N(C)C.CCC(C)C(=O)N(C)C.CCC(C)C(=O)N(C)C.CCCCCCCCOC(=O)C(C)(C)CC.CCCCCCCCOC(=O)C(C)(C)CC.CCCCOC(=O)C(C)CC.CCCOC(=O)C(C)(C)CC.CCCOC(=O)C(C)(C)CC.CCCOC(=O)C(C)CC
InChIInChI=1S/2C14H28O2.C11H22O4.3C9H18O2.C8H16O2.5C7H15NO/c2*1-5-7-8-9-10-11-12-16-13(15)14(3,4)6-2;1-5-11(2,3)10(12)15-9-8-14-7-6-13-4;2*1-5-7-11-8(10)9(3,4)6-2;1-4-6-7-11-9(10)8(3)5-2;1-4-6-10-8(9)7(3)5-2;5*1-5-6(2)7(9)8(3)4/h2*5-12H2,1-4H3;5-9H2,1-4H3;2*5-7H2,1-4H3;8H,4-7H2,1-3H3;7H,4-6H2,1-3H3;5*6H,5H2,1-4H3
InChIKeyHARZGUPKIFXESH-UHFFFAOYSA-N
MW1940.00 g/mol
LogP25.00
Rot. Bonds53

About butyl 2-methylbutanoate;2-(2-methoxyethoxy)ethyl 2,2-dimethylbutanoate;bis(octyl 2,2-dimethylbutanoate);bis(propyl 2,2-dimethylbutanoate);propyl 2-methylbutanoate;pentakis(N,N,2-trimethylbutanamide)

butyl 2-methylbutanoate;2-(2-methoxyethoxy)ethyl 2,2-dimethylbutanoate;bis(octyl 2,2-dimethylbutanoate);bis(propyl 2,2-dimethylbutanoate);propyl 2-methylbutanoate;pentakis(N,N,2-trimethylbutanamide) (PubChem CID 158422927) has the molecular formula C109H223N5O21 and a molecular weight of 1940.00 g/mol. Its IUPAC name is butyl 2-methylbutanoate;2-(2-methoxyethoxy)ethyl 2,2-dimethylbutanoate;bis(octyl 2,2-dimethylbutanoate);bis(propyl 2,2-dimethylbutanoate);propyl 2-methylbutanoate;pentakis(N,N,2-trimethylbutanamide).

Molecular Properties

Compound Namebutyl 2-methylbutanoate;2-(2-methoxyethoxy)ethyl 2,2-dimethylbutanoate;bis(octyl 2,2-dimethylbutanoate);bis(propyl 2,2-dimethylbutanoate);propyl 2-methylbutanoate;pentakis(N,N,2-trimethylbutanamide)
PubChem CID158422927
Molecular FormulaC109H223N5O21
Molecular Weight1940.00 g/mol
Exact Mass1938.65
IUPAC Namebutyl 2-methylbutanoate;2-(2-methoxyethoxy)ethyl 2,2-dimethylbutanoate;bis(octyl 2,2-dimethylbutanoate);bis(propyl 2,2-dimethylbutanoate);propyl 2-methylbutanoate;pentakis(N,N,2-trimethylbutanamide)
SMILESCCC(C)(C)C(=O)OCCOCCOC.CCC(C)C(=O)N(C)C.CCC(C)C(=O)N(C)C.CCC(C)C(=O)N(C)C.CCC(C)C(=O)N(C)C.CCC(C)C(=O)N(C)C.CCCCCCCCOC(=O)C(C)(C)CC.CCCCCCCCOC(=O)C(C)(C)CC.CCCCOC(=O)C(C)CC.CCCOC(=O)C(C)(C)CC.CCCOC(=O)C(C)(C)CC.CCCOC(=O)C(C)CC
InChIInChI=1S/2C14H28O2.C11H22O4.3C9H18O2.C8H16O2.5C7H15NO/c2*1-5-7-8-9-10-11-12-16-13(15)14(3,4)6-2;1-5-11(2,3)10(12)15-9-8-14-7-6-13-4;2*1-5-7-11-8(10)9(3,4)6-2;1-4-6-7-11-9(10)8(3)5-2;1-4-6-10-8(9)7(3)5-2;5*1-5-6(2)7(9)8(3)4/h2*5-12H2,1-4H3;5-9H2,1-4H3;2*5-7H2,1-4H3;8H,4-7H2,1-3H3;7H,4-6H2,1-3H3;5*6H,5H2,1-4H3
InChIKeyHARZGUPKIFXESH-UHFFFAOYSA-N
XLogP25.00
TPSA304.11 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds53
Heavy Atoms135
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001940.00
LogP ≤ 525.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

Analyze butyl 2-methylbutanoate;2-(2-methoxyethoxy)ethyl 2,2-dimethylbutanoate;bis(octyl 2,2-dimethylbutanoate);bis(propyl 2,2-dimethylbutanoate);propyl 2-methylbutanoate;pentakis(N,N,2-trimethylbutanamide) with MolForge

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Related Compounds

2-[2-(2-butoxyethoxy)ethoxy]ethyl 2,2-dimethylbutanoate
CID 89127071
tridecyl 2,2-dimethylbutanoate
CID 59651442
2,2-dimethylbutanenitrile;dodecyl 2-methylbutanoate;methyl 2,2-dimethylbutanoate
CID 91120306
methyl 2,2-dimethylbutanoate;2-prop-2-enylperoxyethyl 2,2-dimethylbutanoate;N,N,2-trimethylbutanamide
CID 161196446
pentyl 2,2-dimethylbutanoate
CID 59940538
(dimethylamino)methyl 2,2-dimethylbutanoate;N,N,2-trimethylbutanamide
CID 91398430
(dimethylamino)methyl 2,2-dimethylbutanoate;(dimethylamino)methyl 2-methylbutanoate;N,N,2,2-tetramethylbutanamide;N,N,2-trimethylbutanamide
CID 91448089
13-(2,2-dimethylbutanoyloxy)tridecyl 2,2-dimethylbutanoate
CID 160888963
bis(3-(2,2-dimethylbutanoyloxy)propyl-trimethylazanium);trimethyl-[3-(2-methylbutanoyloxy)propyl]azanium;trichloride
CID 160559917
butyl 2,2-dimethylbutanoate;2-(2,2-dimethylbutanoyloxy)ethyl 2,2-dimethylbutanoate;methyl 2,2-dimethylbutanoate;bromide
CID 159358971
butyl 2-methylbutanoate;cyclohexyl 2,2-dimethylbutanoate;2-hydroxyethyl 2,2-dimethylbutanoate;2-methylbutanoic acid;10-tricyclo[5.2.1.02,6]decanyl 2,2-dimethylbutanoate
CID 158225780
3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl 2,2-dimethylbutanoate;2-(2-ethoxyethoxy)ethyl 2-methylbutanoate;2-ethylhexyl 2-methylbutanoate
CID 163616355

Frequently Asked Questions

What is the IUPAC name of butyl 2-methylbutanoate;2-(2-methoxyethoxy)ethyl 2,2-dimethylbutanoate;bis(octyl 2,2-dimethylbutanoate);bis(propyl 2,2-dimethylbutanoate);propyl 2-methylbutanoate;pentakis(N,N,2-trimethylbutanamide)?
The IUPAC name of butyl 2-methylbutanoate;2-(2-methoxyethoxy)ethyl 2,2-dimethylbutanoate;bis(octyl 2,2-dimethylbutanoate);bis(propyl 2,2-dimethylbutanoate);propyl 2-methylbutanoate;pentakis(N,N,2-trimethylbutanamide) (CID 158422927) is butyl 2-methylbutanoate;2-(2-methoxyethoxy)ethyl 2,2-dimethylbutanoate;bis(octyl 2,2-dimethylbutanoate);bis(propyl 2,2-dimethylbutanoate);propyl 2-methylbutanoate;pentakis(N,N,2-trimethylbutanamide).
What is the SMILES notation for butyl 2-methylbutanoate;2-(2-methoxyethoxy)ethyl 2,2-dimethylbutanoate;bis(octyl 2,2-dimethylbutanoate);bis(propyl 2,2-dimethylbutanoate);propyl 2-methylbutanoate;pentakis(N,N,2-trimethylbutanamide)?
The canonical SMILES for butyl 2-methylbutanoate;2-(2-methoxyethoxy)ethyl 2,2-dimethylbutanoate;bis(octyl 2,2-dimethylbutanoate);bis(propyl 2,2-dimethylbutanoate);propyl 2-methylbutanoate;pentakis(N,N,2-trimethylbutanamide) is CCC(C)(C)C(=O)OCCOCCOC.CCC(C)C(=O)N(C)C.CCC(C)C(=O)N(C)C.CCC(C)C(=O)N(C)C.CCC(C)C(=O)N(C)C.CCC(C)C(=O)N(C)C.CCCCCCCCOC(=O)C(C)(C)CC.CCCCCCCCOC(=O)C(C)(C)CC.CCCCOC(=O)C(C)CC.CCCOC(=O)C(C)(C)CC.CCCOC(=O)C(C)(C)CC.CCCOC(=O)C(C)CC.
What is the InChIKey of butyl 2-methylbutanoate;2-(2-methoxyethoxy)ethyl 2,2-dimethylbutanoate;bis(octyl 2,2-dimethylbutanoate);bis(propyl 2,2-dimethylbutanoate);propyl 2-methylbutanoate;pentakis(N,N,2-trimethylbutanamide)?
The InChIKey is HARZGUPKIFXESH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H28O2.C11H22O4.3C9H18O2.C8H16O2.5C7H15NO/c2*1-5-7-8-9-10-11-12-16-13(15)14(3,4)6-2;1-5-11(2,3)10(12)15-9-8-14-7-6-13-4;2*1-5-7-11-8(10)9(3,4)6-2;1-4-6-7-11-9(10)8(3)5-2;1-4-6-10-8(9)7(3)5-2;5*1-5-6(2)7(9)8(3)4/h2*5-12H2,1-4H3;5-9H2,1-4H3;2*5-7H2,1-4H3;8H,4-7H2,1-3H3;7H,4-6H2,1-3H3;5*6H,5H2,1-4H3.
What are the key properties of butyl 2-methylbutanoate;2-(2-methoxyethoxy)ethyl 2,2-dimethylbutanoate;bis(octyl 2,2-dimethylbutanoate);bis(propyl 2,2-dimethylbutanoate);propyl 2-methylbutanoate;pentakis(N,N,2-trimethylbutanamide)?
butyl 2-methylbutanoate;2-(2-methoxyethoxy)ethyl 2,2-dimethylbutanoate;bis(octyl 2,2-dimethylbutanoate);bis(propyl 2,2-dimethylbutanoate);propyl 2-methylbutanoate;pentakis(N,N,2-trimethylbutanamide) has a molecular weight of 1940.00 g/mol, XLogP of 25.00, 53 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-methylbutanoate;2-(2-methoxyethoxy)ethyl 2,2-dimethylbutanoate;bis(octyl 2,2-dimethylbutanoate);bis(propyl 2,2-dimethylbutanoate);propyl 2-methylbutanoate;pentakis(N,N,2-trimethylbutanamide) is sourced from PubChem (CID 158422927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).