2,8-dimethylnonan-3-one;2-(3-methylbutoxy)ethyl 2-methylpropanoate;3-methyl-1-[2-(3-methylbutoxy)ethoxy]butan-2-one;4-methyl-1-[2-(3-methylbutoxy)ethoxy]pentan-3-one;4-methyl-1-(3-methylbutoxy)pentan-3-one;3-methyl-1-(6-methylheptoxy)butan-2-one;4-methyl-1-(6-methylheptoxy)pentan-3-one;4-methyl-1-(7-methylocta-2,4-diynoxy)pentan-3-one;3-methyl-1-(7-methyloctoxy)butan-2-one;3-methyl-1-[2-(4-methylpentoxy)ethoxy]butan-2-one;3-methyl-1-[2-[2-[methyl(propan-2-yl)amino]ethoxy]ethoxy]butan-2-one;3-methyl-1-[5-[methyl(propan-2-yl)amino]pentoxy]butan-2-one

C154H302N2O28 — CID 161319939

IUPAC2,8-dimethylnonan-3-one;2-(3-methylbutoxy)ethyl 2-methylpropanoate;3-methyl-1-[2-(3-methylbutoxy)ethoxy]butan-2-one;4-methyl-1-[2-(3-methylbutoxy)ethoxy]pentan-3-one;4-methyl-1-(3-methylbutoxy)pentan-3-one;3-methyl-1-(6-methylheptoxy)butan-2-one;4-methyl-1-(6-methylheptoxy)pentan-3-one;4-methyl-1-(7-methylocta-2,4-diynoxy)pentan-3-one;3-methyl-1-(7-methyloctoxy)butan-2-one;3-methyl-1-[2-(4-methylpentoxy)ethoxy]butan-2-one;3-methyl-1-[2-[2-[methyl(propan-2-yl)amino]ethoxy]ethoxy]butan-2-one;3-methyl-1-[5-[methyl(propan-2-yl)amino]pentoxy]butan-2-one
SMILESCC(C)C(=O)COCCCCCN(C)C(C)C.CC(C)C(=O)COCCOCCN(C)C(C)C.CC(C)CC#CC#CCOCCC(=O)C(C)C.CC(C)CCCCC(=O)C(C)C.CC(C)CCCCCCOCC(=O)C(C)C.CC(C)CCCCCOCC(=O)C(C)C.CC(C)CCCCCOCCC(=O)C(C)C.CC(C)CCCOCCOCC(=O)C(C)C.CC(C)CCOCCC(=O)C(C)C.CC(C)CCOCCOC(=O)C(C)C.CC(C)CCOCCOCC(=O)C(C)C.CC(C)CCOCCOCCC(=O)C(C)C
InChIInChI=1S/C15H22O2.C14H29NO2.2C14H28O2.C13H27NO3.2C13H26O3.C13H26O2.C12H24O3.C11H22O3.C11H22O2.C11H22O/c1-13(2)9-7-5-6-8-11-17-12-10-15(16)14(3)4;1-12(2)14(16)11-17-10-8-6-7-9-15(5)13(3)4;1-12(2)8-6-5-7-10-16-11-9-14(15)13(3)4;1-12(2)9-7-5-6-8-10-16-11-14(15)13(3)4;1-11(2)13(15)10-17-9-8-16-7-6-14(5)12(3)4;1-11(2)5-7-15-9-10-16-8-6-13(14)12(3)4;1-11(2)6-5-7-15-8-9-16-10-13(14)12(3)4;1-11(2)8-6-5-7-9-15-10-13(14)12(3)4;1-10(2)5-6-14-7-8-15-9-12(13)11(3)4;1-9(2)5-6-13-7-8-14-11(12)10(3)4;1-9(2)5-7-13-8-6-11(12)10(3)4;1-9(2)7-5-6-8-11(12)10(3)4/h13-14H,9-12H2,1-4H3;12-13H,6-11H2,1-5H3;2*12-13H,5-11H2,1-4H3;11-12H,6-10H2,1-5H3;2*11-12H,5-10H2,1-4H3;11-12H,5-10H2,1-4H3;10-11H,5-9H2,1-4H3;9-10H,5-8H2,1-4H3;9-10H,5-8H2,1-4H3;9-10H,5-8H2,1-4H3
InChIKeyVJZSPOXJWMHGFY-UHFFFAOYSA-N
MW2630.10 g/mol
LogP34.10
Rot. Bonds104

About 2,8-dimethylnonan-3-one;2-(3-methylbutoxy)ethyl 2-methylpropanoate;3-methyl-1-[2-(3-methylbutoxy)ethoxy]butan-2-one;4-methyl-1-[2-(3-methylbutoxy)ethoxy]pentan-3-one;4-methyl-1-(3-methylbutoxy)pentan-3-one;3-methyl-1-(6-methylheptoxy)butan-2-one;4-methyl-1-(6-methylheptoxy)pentan-3-one;4-methyl-1-(7-methylocta-2,4-diynoxy)pentan-3-one;3-methyl-1-(7-methyloctoxy)butan-2-one;3-methyl-1-[2-(4-methylpentoxy)ethoxy]butan-2-one;3-methyl-1-[2-[2-[methyl(propan-2-yl)amino]ethoxy]ethoxy]butan-2-one;3-methyl-1-[5-[methyl(propan-2-yl)amino]pentoxy]butan-2-one

2,8-dimethylnonan-3-one;2-(3-methylbutoxy)ethyl 2-methylpropanoate;3-methyl-1-[2-(3-methylbutoxy)ethoxy]butan-2-one;4-methyl-1-[2-(3-methylbutoxy)ethoxy]pentan-3-one;4-methyl-1-(3-methylbutoxy)pentan-3-one;3-methyl-1-(6-methylheptoxy)butan-2-one;4-methyl-1-(6-methylheptoxy)pentan-3-one;4-methyl-1-(7-methylocta-2,4-diynoxy)pentan-3-one;3-methyl-1-(7-methyloctoxy)butan-2-one;3-methyl-1-[2-(4-methylpentoxy)ethoxy]butan-2-one;3-methyl-1-[2-[2-[methyl(propan-2-yl)amino]ethoxy]ethoxy]butan-2-one;3-methyl-1-[5-[methyl(propan-2-yl)amino]pentoxy]butan-2-one (PubChem CID 161319939) has the molecular formula C154H302N2O28 and a molecular weight of 2630.10 g/mol. Its IUPAC name is 2,8-dimethylnonan-3-one;2-(3-methylbutoxy)ethyl 2-methylpropanoate;3-methyl-1-[2-(3-methylbutoxy)ethoxy]butan-2-one;4-methyl-1-[2-(3-methylbutoxy)ethoxy]pentan-3-one;4-methyl-1-(3-methylbutoxy)pentan-3-one;3-methyl-1-(6-methylheptoxy)butan-2-one;4-methyl-1-(6-methylheptoxy)pentan-3-one;4-methyl-1-(7-methylocta-2,4-diynoxy)pentan-3-one;3-methyl-1-(7-methyloctoxy)butan-2-one;3-methyl-1-[2-(4-methylpentoxy)ethoxy]butan-2-one;3-methyl-1-[2-[2-[methyl(propan-2-yl)amino]ethoxy]ethoxy]butan-2-one;3-methyl-1-[5-[methyl(propan-2-yl)amino]pentoxy]butan-2-one.

Molecular Properties

Compound Name2,8-dimethylnonan-3-one;2-(3-methylbutoxy)ethyl 2-methylpropanoate;3-methyl-1-[2-(3-methylbutoxy)ethoxy]butan-2-one;4-methyl-1-[2-(3-methylbutoxy)ethoxy]pentan-3-one;4-methyl-1-(3-methylbutoxy)pentan-3-one;3-methyl-1-(6-methylheptoxy)butan-2-one;4-methyl-1-(6-methylheptoxy)pentan-3-one;4-methyl-1-(7-methylocta-2,4-diynoxy)pentan-3-one;3-methyl-1-(7-methyloctoxy)butan-2-one;3-methyl-1-[2-(4-methylpentoxy)ethoxy]butan-2-one;3-methyl-1-[2-[2-[methyl(propan-2-yl)amino]ethoxy]ethoxy]butan-2-one;3-methyl-1-[5-[methyl(propan-2-yl)amino]pentoxy]butan-2-one
PubChem CID161319939
Molecular FormulaC154H302N2O28
Molecular Weight2630.10 g/mol
Exact Mass2628.23
IUPAC Name2,8-dimethylnonan-3-one;2-(3-methylbutoxy)ethyl 2-methylpropanoate;3-methyl-1-[2-(3-methylbutoxy)ethoxy]butan-2-one;4-methyl-1-[2-(3-methylbutoxy)ethoxy]pentan-3-one;4-methyl-1-(3-methylbutoxy)pentan-3-one;3-methyl-1-(6-methylheptoxy)butan-2-one;4-methyl-1-(6-methylheptoxy)pentan-3-one;4-methyl-1-(7-methylocta-2,4-diynoxy)pentan-3-one;3-methyl-1-(7-methyloctoxy)butan-2-one;3-methyl-1-[2-(4-methylpentoxy)ethoxy]butan-2-one;3-methyl-1-[2-[2-[methyl(propan-2-yl)amino]ethoxy]ethoxy]butan-2-one;3-methyl-1-[5-[methyl(propan-2-yl)amino]pentoxy]butan-2-one
SMILESCC(C)C(=O)COCCCCCN(C)C(C)C.CC(C)C(=O)COCCOCCN(C)C(C)C.CC(C)CC#CC#CCOCCC(=O)C(C)C.CC(C)CCCCC(=O)C(C)C.CC(C)CCCCCCOCC(=O)C(C)C.CC(C)CCCCCOCC(=O)C(C)C.CC(C)CCCCCOCCC(=O)C(C)C.CC(C)CCCOCCOCC(=O)C(C)C.CC(C)CCOCCC(=O)C(C)C.CC(C)CCOCCOC(=O)C(C)C.CC(C)CCOCCOCC(=O)C(C)C.CC(C)CCOCCOCCC(=O)C(C)C
InChIInChI=1S/C15H22O2.C14H29NO2.2C14H28O2.C13H27NO3.2C13H26O3.C13H26O2.C12H24O3.C11H22O3.C11H22O2.C11H22O/c1-13(2)9-7-5-6-8-11-17-12-10-15(16)14(3)4;1-12(2)14(16)11-17-10-8-6-7-9-15(5)13(3)4;1-12(2)8-6-5-7-10-16-11-9-14(15)13(3)4;1-12(2)9-7-5-6-8-10-16-11-14(15)13(3)4;1-11(2)13(15)10-17-9-8-16-7-6-14(5)12(3)4;1-11(2)5-7-15-9-10-16-8-6-13(14)12(3)4;1-11(2)6-5-7-15-8-9-16-10-13(14)12(3)4;1-11(2)8-6-5-7-9-15-10-13(14)12(3)4;1-10(2)5-6-14-7-8-15-9-12(13)11(3)4;1-9(2)5-6-13-7-8-14-11(12)10(3)4;1-9(2)5-7-13-8-6-11(12)10(3)4;1-9(2)7-5-6-8-11(12)10(3)4/h13-14H,9-12H2,1-4H3;12-13H,6-11H2,1-5H3;2*12-13H,5-11H2,1-4H3;11-12H,6-10H2,1-5H3;2*11-12H,5-10H2,1-4H3;11-12H,5-10H2,1-4H3;10-11H,5-9H2,1-4H3;9-10H,5-8H2,1-4H3;9-10H,5-8H2,1-4H3;9-10H,5-8H2,1-4H3
InChIKeyVJZSPOXJWMHGFY-UHFFFAOYSA-N
XLogP34.10
TPSA359.00 Ų
H-Bond Donors
H-Bond Acceptors30
Rotatable Bonds104
Heavy Atoms184
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002630.10
LogP ≤ 534.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

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

Analyze 2,8-dimethylnonan-3-one;2-(3-methylbutoxy)ethyl 2-methylpropanoate;3-methyl-1-[2-(3-methylbutoxy)ethoxy]butan-2-one;4-methyl-1-[2-(3-methylbutoxy)ethoxy]pentan-3-one;4-methyl-1-(3-methylbutoxy)pentan-3-one;3-methyl-1-(6-methylheptoxy)butan-2-one;4-methyl-1-(6-methylheptoxy)pentan-3-one;4-methyl-1-(7-methylocta-2,4-diynoxy)pentan-3-one;3-methyl-1-(7-methyloctoxy)butan-2-one;3-methyl-1-[2-(4-methylpentoxy)ethoxy]butan-2-one;3-methyl-1-[2-[2-[methyl(propan-2-yl)amino]ethoxy]ethoxy]butan-2-one;3-methyl-1-[5-[methyl(propan-2-yl)amino]pentoxy]butan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,8-dimethylnonan-3-one;2-(3-methylbutoxy)ethyl 2-methylpropanoate;3-methyl-1-[2-(3-methylbutoxy)ethoxy]butan-2-one;4-methyl-1-[2-(3-methylbutoxy)ethoxy]pentan-3-one;4-methyl-1-(3-methylbutoxy)pentan-3-one;3-methyl-1-(6-methylheptoxy)butan-2-one;4-methyl-1-(6-methylheptoxy)pentan-3-one;4-methyl-1-(7-methylocta-2,4-diynoxy)pentan-3-one;3-methyl-1-(7-methyloctoxy)butan-2-one;3-methyl-1-[2-(4-methylpentoxy)ethoxy]butan-2-one;3-methyl-1-[2-[2-[methyl(propan-2-yl)amino]ethoxy]ethoxy]butan-2-one;3-methyl-1-[5-[methyl(propan-2-yl)amino]pentoxy]butan-2-one?
The IUPAC name of 2,8-dimethylnonan-3-one;2-(3-methylbutoxy)ethyl 2-methylpropanoate;3-methyl-1-[2-(3-methylbutoxy)ethoxy]butan-2-one;4-methyl-1-[2-(3-methylbutoxy)ethoxy]pentan-3-one;4-methyl-1-(3-methylbutoxy)pentan-3-one;3-methyl-1-(6-methylheptoxy)butan-2-one;4-methyl-1-(6-methylheptoxy)pentan-3-one;4-methyl-1-(7-methylocta-2,4-diynoxy)pentan-3-one;3-methyl-1-(7-methyloctoxy)butan-2-one;3-methyl-1-[2-(4-methylpentoxy)ethoxy]butan-2-one;3-methyl-1-[2-[2-[methyl(propan-2-yl)amino]ethoxy]ethoxy]butan-2-one;3-methyl-1-[5-[methyl(propan-2-yl)amino]pentoxy]butan-2-one (CID 161319939) is 2,8-dimethylnonan-3-one;2-(3-methylbutoxy)ethyl 2-methylpropanoate;3-methyl-1-[2-(3-methylbutoxy)ethoxy]butan-2-one;4-methyl-1-[2-(3-methylbutoxy)ethoxy]pentan-3-one;4-methyl-1-(3-methylbutoxy)pentan-3-one;3-methyl-1-(6-methylheptoxy)butan-2-one;4-methyl-1-(6-methylheptoxy)pentan-3-one;4-methyl-1-(7-methylocta-2,4-diynoxy)pentan-3-one;3-methyl-1-(7-methyloctoxy)butan-2-one;3-methyl-1-[2-(4-methylpentoxy)ethoxy]butan-2-one;3-methyl-1-[2-[2-[methyl(propan-2-yl)amino]ethoxy]ethoxy]butan-2-one;3-methyl-1-[5-[methyl(propan-2-yl)amino]pentoxy]butan-2-one.
What is the SMILES notation for 2,8-dimethylnonan-3-one;2-(3-methylbutoxy)ethyl 2-methylpropanoate;3-methyl-1-[2-(3-methylbutoxy)ethoxy]butan-2-one;4-methyl-1-[2-(3-methylbutoxy)ethoxy]pentan-3-one;4-methyl-1-(3-methylbutoxy)pentan-3-one;3-methyl-1-(6-methylheptoxy)butan-2-one;4-methyl-1-(6-methylheptoxy)pentan-3-one;4-methyl-1-(7-methylocta-2,4-diynoxy)pentan-3-one;3-methyl-1-(7-methyloctoxy)butan-2-one;3-methyl-1-[2-(4-methylpentoxy)ethoxy]butan-2-one;3-methyl-1-[2-[2-[methyl(propan-2-yl)amino]ethoxy]ethoxy]butan-2-one;3-methyl-1-[5-[methyl(propan-2-yl)amino]pentoxy]butan-2-one?
The canonical SMILES for 2,8-dimethylnonan-3-one;2-(3-methylbutoxy)ethyl 2-methylpropanoate;3-methyl-1-[2-(3-methylbutoxy)ethoxy]butan-2-one;4-methyl-1-[2-(3-methylbutoxy)ethoxy]pentan-3-one;4-methyl-1-(3-methylbutoxy)pentan-3-one;3-methyl-1-(6-methylheptoxy)butan-2-one;4-methyl-1-(6-methylheptoxy)pentan-3-one;4-methyl-1-(7-methylocta-2,4-diynoxy)pentan-3-one;3-methyl-1-(7-methyloctoxy)butan-2-one;3-methyl-1-[2-(4-methylpentoxy)ethoxy]butan-2-one;3-methyl-1-[2-[2-[methyl(propan-2-yl)amino]ethoxy]ethoxy]butan-2-one;3-methyl-1-[5-[methyl(propan-2-yl)amino]pentoxy]butan-2-one is CC(C)C(=O)COCCCCCN(C)C(C)C.CC(C)C(=O)COCCOCCN(C)C(C)C.CC(C)CC#CC#CCOCCC(=O)C(C)C.CC(C)CCCCC(=O)C(C)C.CC(C)CCCCCCOCC(=O)C(C)C.CC(C)CCCCCOCC(=O)C(C)C.CC(C)CCCCCOCCC(=O)C(C)C.CC(C)CCCOCCOCC(=O)C(C)C.CC(C)CCOCCC(=O)C(C)C.CC(C)CCOCCOC(=O)C(C)C.CC(C)CCOCCOCC(=O)C(C)C.CC(C)CCOCCOCCC(=O)C(C)C.
What is the InChIKey of 2,8-dimethylnonan-3-one;2-(3-methylbutoxy)ethyl 2-methylpropanoate;3-methyl-1-[2-(3-methylbutoxy)ethoxy]butan-2-one;4-methyl-1-[2-(3-methylbutoxy)ethoxy]pentan-3-one;4-methyl-1-(3-methylbutoxy)pentan-3-one;3-methyl-1-(6-methylheptoxy)butan-2-one;4-methyl-1-(6-methylheptoxy)pentan-3-one;4-methyl-1-(7-methylocta-2,4-diynoxy)pentan-3-one;3-methyl-1-(7-methyloctoxy)butan-2-one;3-methyl-1-[2-(4-methylpentoxy)ethoxy]butan-2-one;3-methyl-1-[2-[2-[methyl(propan-2-yl)amino]ethoxy]ethoxy]butan-2-one;3-methyl-1-[5-[methyl(propan-2-yl)amino]pentoxy]butan-2-one?
The InChIKey is VJZSPOXJWMHGFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2.C14H29NO2.2C14H28O2.C13H27NO3.2C13H26O3.C13H26O2.C12H24O3.C11H22O3.C11H22O2.C11H22O/c1-13(2)9-7-5-6-8-11-17-12-10-15(16)14(3)4;1-12(2)14(16)11-17-10-8-6-7-9-15(5)13(3)4;1-12(2)8-6-5-7-10-16-11-9-14(15)13(3)4;1-12(2)9-7-5-6-8-10-16-11-14(15)13(3)4;1-11(2)13(15)10-17-9-8-16-7-6-14(5)12(3)4;1-11(2)5-7-15-9-10-16-8-6-13(14)12(3)4;1-11(2)6-5-7-15-8-9-16-10-13(14)12(3)4;1-11(2)8-6-5-7-9-15-10-13(14)12(3)4;1-10(2)5-6-14-7-8-15-9-12(13)11(3)4;1-9(2)5-6-13-7-8-14-11(12)10(3)4;1-9(2)5-7-13-8-6-11(12)10(3)4;1-9(2)7-5-6-8-11(12)10(3)4/h13-14H,9-12H2,1-4H3;12-13H,6-11H2,1-5H3;2*12-13H,5-11H2,1-4H3;11-12H,6-10H2,1-5H3;2*11-12H,5-10H2,1-4H3;11-12H,5-10H2,1-4H3;10-11H,5-9H2,1-4H3;9-10H,5-8H2,1-4H3;9-10H,5-8H2,1-4H3;9-10H,5-8H2,1-4H3.
What are the key properties of 2,8-dimethylnonan-3-one;2-(3-methylbutoxy)ethyl 2-methylpropanoate;3-methyl-1-[2-(3-methylbutoxy)ethoxy]butan-2-one;4-methyl-1-[2-(3-methylbutoxy)ethoxy]pentan-3-one;4-methyl-1-(3-methylbutoxy)pentan-3-one;3-methyl-1-(6-methylheptoxy)butan-2-one;4-methyl-1-(6-methylheptoxy)pentan-3-one;4-methyl-1-(7-methylocta-2,4-diynoxy)pentan-3-one;3-methyl-1-(7-methyloctoxy)butan-2-one;3-methyl-1-[2-(4-methylpentoxy)ethoxy]butan-2-one;3-methyl-1-[2-[2-[methyl(propan-2-yl)amino]ethoxy]ethoxy]butan-2-one;3-methyl-1-[5-[methyl(propan-2-yl)amino]pentoxy]butan-2-one?
2,8-dimethylnonan-3-one;2-(3-methylbutoxy)ethyl 2-methylpropanoate;3-methyl-1-[2-(3-methylbutoxy)ethoxy]butan-2-one;4-methyl-1-[2-(3-methylbutoxy)ethoxy]pentan-3-one;4-methyl-1-(3-methylbutoxy)pentan-3-one;3-methyl-1-(6-methylheptoxy)butan-2-one;4-methyl-1-(6-methylheptoxy)pentan-3-one;4-methyl-1-(7-methylocta-2,4-diynoxy)pentan-3-one;3-methyl-1-(7-methyloctoxy)butan-2-one;3-methyl-1-[2-(4-methylpentoxy)ethoxy]butan-2-one;3-methyl-1-[2-[2-[methyl(propan-2-yl)amino]ethoxy]ethoxy]butan-2-one;3-methyl-1-[5-[methyl(propan-2-yl)amino]pentoxy]butan-2-one has a molecular weight of 2630.10 g/mol, XLogP of 34.10, 104 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethylnonan-3-one;2-(3-methylbutoxy)ethyl 2-methylpropanoate;3-methyl-1-[2-(3-methylbutoxy)ethoxy]butan-2-one;4-methyl-1-[2-(3-methylbutoxy)ethoxy]pentan-3-one;4-methyl-1-(3-methylbutoxy)pentan-3-one;3-methyl-1-(6-methylheptoxy)butan-2-one;4-methyl-1-(6-methylheptoxy)pentan-3-one;4-methyl-1-(7-methylocta-2,4-diynoxy)pentan-3-one;3-methyl-1-(7-methyloctoxy)butan-2-one;3-methyl-1-[2-(4-methylpentoxy)ethoxy]butan-2-one;3-methyl-1-[2-[2-[methyl(propan-2-yl)amino]ethoxy]ethoxy]butan-2-one;3-methyl-1-[5-[methyl(propan-2-yl)amino]pentoxy]butan-2-one is sourced from PubChem (CID 161319939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).