7-[2,2-dimethyl-3-(2-methyl-5-oxohept-6-enoxy)propoxy]-6-methylhept-1-en-3-one;7-[3-(2,6-dimethyl-5-oxohept-6-enoxy)-2,2-dimethylpropoxy]-2,6-dimethylhept-1-en-3-one;7-[2-[(2,6-dimethyl-5-oxohept-6-enoxy)methyl]-2-ethylbutoxy]-2,6-dimethylhept-1-en-3-one;7-[2-[(2,6-dimethyl-5-oxohept-6-enoxy)methyl]-2-methylbutoxy]-2,6-dimethylhept-1-en-3-one;7-[3-(2,6-dimethyl-5-oxohept-6-enoxy)propoxy]-2,6-dimethylhept-1-en-3-one;7-[2-ethyl-2-[(2-methyl-5-oxohept-6-enoxy)methyl]butoxy]-6-methylhept-1-en-3-one;6-methyl-7-[2-methyl-2-[(2-methyl-5-oxohept-6-enoxy)methyl]butoxy]hept-1-en-3-one;6-methyl-7-[3-(2-methyl-5-oxohept-6-enoxy)propoxy]hept-1-en-3-one

C178H308O32 — CID 159170654

IUPAC7-[2,2-dimethyl-3-(2-methyl-5-oxohept-6-enoxy)propoxy]-6-methylhept-1-en-3-one;7-[3-(2,6-dimethyl-5-oxohept-6-enoxy)-2,2-dimethylpropoxy]-2,6-dimethylhept-1-en-3-one;7-[2-[(2,6-dimethyl-5-oxohept-6-enoxy)methyl]-2-ethylbutoxy]-2,6-dimethylhept-1-en-3-one;7-[2-[(2,6-dimethyl-5-oxohept-6-enoxy)methyl]-2-methylbutoxy]-2,6-dimethylhept-1-en-3-one;7-[3-(2,6-dimethyl-5-oxohept-6-enoxy)propoxy]-2,6-dimethylhept-1-en-3-one;7-[2-ethyl-2-[(2-methyl-5-oxohept-6-enoxy)methyl]butoxy]-6-methylhept-1-en-3-one;6-methyl-7-[2-methyl-2-[(2-methyl-5-oxohept-6-enoxy)methyl]butoxy]hept-1-en-3-one;6-methyl-7-[3-(2-methyl-5-oxohept-6-enoxy)propoxy]hept-1-en-3-one
SMILESC=C(C)C(=O)CCC(C)COCC(C)(C)COCC(C)CCC(=O)C(=C)C.C=C(C)C(=O)CCC(C)COCC(C)(CC)COCC(C)CCC(=O)C(=C)C.C=C(C)C(=O)CCC(C)COCC(CC)(CC)COCC(C)CCC(=O)C(=C)C.C=C(C)C(=O)CCC(C)COCCCOCC(C)CCC(=O)C(=C)C.C=CC(=O)CCC(C)COCC(C)(C)COCC(C)CCC(=O)C=C.C=CC(=O)CCC(C)COCC(C)(CC)COCC(C)CCC(=O)C=C.C=CC(=O)CCC(C)COCC(CC)(CC)COCC(C)CCC(=O)C=C.C=CC(=O)CCC(C)COCCCOCC(C)CCC(=O)C=C
InChIInChI=1S/C25H44O4.C24H42O4.2C23H40O4.C22H38O4.2C21H36O4.C19H32O4/c1-9-25(10-2,17-28-15-21(7)11-13-23(26)19(3)4)18-29-16-22(8)12-14-24(27)20(5)6;1-9-24(8,16-27-14-20(6)10-12-22(25)18(2)3)17-28-15-21(7)11-13-23(26)19(4)5;1-17(2)21(24)11-9-19(5)13-26-15-23(7,8)16-27-14-20(6)10-12-22(25)18(3)4;1-7-21(24)13-11-19(5)15-26-17-23(9-3,10-4)18-27-16-20(6)12-14-22(25)8-2;1-7-20(23)12-10-18(4)14-25-16-22(6,9-3)17-26-15-19(5)11-13-21(24)8-2;1-16(2)20(22)10-8-18(5)14-24-12-7-13-25-15-19(6)9-11-21(23)17(3)4;1-7-19(22)11-9-17(3)13-24-15-21(5,6)16-25-14-18(4)10-12-20(23)8-2;1-5-18(20)10-8-16(3)14-22-12-7-13-23-15-17(4)9-11-19(21)6-2/h21-22H,3,5,9-18H2,1-2,4,6-8H3;20-21H,2,4,9-17H2,1,3,5-8H3;19-20H,1,3,9-16H2,2,4-8H3;7-8,19-20H,1-2,9-18H2,3-6H3;7-8,18-19H,1-2,9-17H2,3-6H3;18-19H,1,3,7-15H2,2,4-6H3;7-8,17-18H,1-2,9-16H2,3-6H3;5-6,16-17H,1-2,7-15H2,3-4H3
InChIKeyKLQJRUMVLNSQPD-UHFFFAOYSA-N
MW2960.39 g/mol
LogP39.30
Rot. Bonds134

About 7-[2,2-dimethyl-3-(2-methyl-5-oxohept-6-enoxy)propoxy]-6-methylhept-1-en-3-one;7-[3-(2,6-dimethyl-5-oxohept-6-enoxy)-2,2-dimethylpropoxy]-2,6-dimethylhept-1-en-3-one;7-[2-[(2,6-dimethyl-5-oxohept-6-enoxy)methyl]-2-ethylbutoxy]-2,6-dimethylhept-1-en-3-one;7-[2-[(2,6-dimethyl-5-oxohept-6-enoxy)methyl]-2-methylbutoxy]-2,6-dimethylhept-1-en-3-one;7-[3-(2,6-dimethyl-5-oxohept-6-enoxy)propoxy]-2,6-dimethylhept-1-en-3-one;7-[2-ethyl-2-[(2-methyl-5-oxohept-6-enoxy)methyl]butoxy]-6-methylhept-1-en-3-one;6-methyl-7-[2-methyl-2-[(2-methyl-5-oxohept-6-enoxy)methyl]butoxy]hept-1-en-3-one;6-methyl-7-[3-(2-methyl-5-oxohept-6-enoxy)propoxy]hept-1-en-3-one

7-[2,2-dimethyl-3-(2-methyl-5-oxohept-6-enoxy)propoxy]-6-methylhept-1-en-3-one;7-[3-(2,6-dimethyl-5-oxohept-6-enoxy)-2,2-dimethylpropoxy]-2,6-dimethylhept-1-en-3-one;7-[2-[(2,6-dimethyl-5-oxohept-6-enoxy)methyl]-2-ethylbutoxy]-2,6-dimethylhept-1-en-3-one;7-[2-[(2,6-dimethyl-5-oxohept-6-enoxy)methyl]-2-methylbutoxy]-2,6-dimethylhept-1-en-3-one;7-[3-(2,6-dimethyl-5-oxohept-6-enoxy)propoxy]-2,6-dimethylhept-1-en-3-one;7-[2-ethyl-2-[(2-methyl-5-oxohept-6-enoxy)methyl]butoxy]-6-methylhept-1-en-3-one;6-methyl-7-[2-methyl-2-[(2-methyl-5-oxohept-6-enoxy)methyl]butoxy]hept-1-en-3-one;6-methyl-7-[3-(2-methyl-5-oxohept-6-enoxy)propoxy]hept-1-en-3-one (PubChem CID 159170654) has the molecular formula C178H308O32 and a molecular weight of 2960.39 g/mol. Its IUPAC name is 7-[2,2-dimethyl-3-(2-methyl-5-oxohept-6-enoxy)propoxy]-6-methylhept-1-en-3-one;7-[3-(2,6-dimethyl-5-oxohept-6-enoxy)-2,2-dimethylpropoxy]-2,6-dimethylhept-1-en-3-one;7-[2-[(2,6-dimethyl-5-oxohept-6-enoxy)methyl]-2-ethylbutoxy]-2,6-dimethylhept-1-en-3-one;7-[2-[(2,6-dimethyl-5-oxohept-6-enoxy)methyl]-2-methylbutoxy]-2,6-dimethylhept-1-en-3-one;7-[3-(2,6-dimethyl-5-oxohept-6-enoxy)propoxy]-2,6-dimethylhept-1-en-3-one;7-[2-ethyl-2-[(2-methyl-5-oxohept-6-enoxy)methyl]butoxy]-6-methylhept-1-en-3-one;6-methyl-7-[2-methyl-2-[(2-methyl-5-oxohept-6-enoxy)methyl]butoxy]hept-1-en-3-one;6-methyl-7-[3-(2-methyl-5-oxohept-6-enoxy)propoxy]hept-1-en-3-one.

Molecular Properties

Compound Name7-[2,2-dimethyl-3-(2-methyl-5-oxohept-6-enoxy)propoxy]-6-methylhept-1-en-3-one;7-[3-(2,6-dimethyl-5-oxohept-6-enoxy)-2,2-dimethylpropoxy]-2,6-dimethylhept-1-en-3-one;7-[2-[(2,6-dimethyl-5-oxohept-6-enoxy)methyl]-2-ethylbutoxy]-2,6-dimethylhept-1-en-3-one;7-[2-[(2,6-dimethyl-5-oxohept-6-enoxy)methyl]-2-methylbutoxy]-2,6-dimethylhept-1-en-3-one;7-[3-(2,6-dimethyl-5-oxohept-6-enoxy)propoxy]-2,6-dimethylhept-1-en-3-one;7-[2-ethyl-2-[(2-methyl-5-oxohept-6-enoxy)methyl]butoxy]-6-methylhept-1-en-3-one;6-methyl-7-[2-methyl-2-[(2-methyl-5-oxohept-6-enoxy)methyl]butoxy]hept-1-en-3-one;6-methyl-7-[3-(2-methyl-5-oxohept-6-enoxy)propoxy]hept-1-en-3-one
PubChem CID159170654
Molecular FormulaC178H308O32
Molecular Weight2960.39 g/mol
Exact Mass2958.25
IUPAC Name7-[2,2-dimethyl-3-(2-methyl-5-oxohept-6-enoxy)propoxy]-6-methylhept-1-en-3-one;7-[3-(2,6-dimethyl-5-oxohept-6-enoxy)-2,2-dimethylpropoxy]-2,6-dimethylhept-1-en-3-one;7-[2-[(2,6-dimethyl-5-oxohept-6-enoxy)methyl]-2-ethylbutoxy]-2,6-dimethylhept-1-en-3-one;7-[2-[(2,6-dimethyl-5-oxohept-6-enoxy)methyl]-2-methylbutoxy]-2,6-dimethylhept-1-en-3-one;7-[3-(2,6-dimethyl-5-oxohept-6-enoxy)propoxy]-2,6-dimethylhept-1-en-3-one;7-[2-ethyl-2-[(2-methyl-5-oxohept-6-enoxy)methyl]butoxy]-6-methylhept-1-en-3-one;6-methyl-7-[2-methyl-2-[(2-methyl-5-oxohept-6-enoxy)methyl]butoxy]hept-1-en-3-one;6-methyl-7-[3-(2-methyl-5-oxohept-6-enoxy)propoxy]hept-1-en-3-one
SMILESC=C(C)C(=O)CCC(C)COCC(C)(C)COCC(C)CCC(=O)C(=C)C.C=C(C)C(=O)CCC(C)COCC(C)(CC)COCC(C)CCC(=O)C(=C)C.C=C(C)C(=O)CCC(C)COCC(CC)(CC)COCC(C)CCC(=O)C(=C)C.C=C(C)C(=O)CCC(C)COCCCOCC(C)CCC(=O)C(=C)C.C=CC(=O)CCC(C)COCC(C)(C)COCC(C)CCC(=O)C=C.C=CC(=O)CCC(C)COCC(C)(CC)COCC(C)CCC(=O)C=C.C=CC(=O)CCC(C)COCC(CC)(CC)COCC(C)CCC(=O)C=C.C=CC(=O)CCC(C)COCCCOCC(C)CCC(=O)C=C
InChIInChI=1S/C25H44O4.C24H42O4.2C23H40O4.C22H38O4.2C21H36O4.C19H32O4/c1-9-25(10-2,17-28-15-21(7)11-13-23(26)19(3)4)18-29-16-22(8)12-14-24(27)20(5)6;1-9-24(8,16-27-14-20(6)10-12-22(25)18(2)3)17-28-15-21(7)11-13-23(26)19(4)5;1-17(2)21(24)11-9-19(5)13-26-15-23(7,8)16-27-14-20(6)10-12-22(25)18(3)4;1-7-21(24)13-11-19(5)15-26-17-23(9-3,10-4)18-27-16-20(6)12-14-22(25)8-2;1-7-20(23)12-10-18(4)14-25-16-22(6,9-3)17-26-15-19(5)11-13-21(24)8-2;1-16(2)20(22)10-8-18(5)14-24-12-7-13-25-15-19(6)9-11-21(23)17(3)4;1-7-19(22)11-9-17(3)13-24-15-21(5,6)16-25-14-18(4)10-12-20(23)8-2;1-5-18(20)10-8-16(3)14-22-12-7-13-23-15-17(4)9-11-19(21)6-2/h21-22H,3,5,9-18H2,1-2,4,6-8H3;20-21H,2,4,9-17H2,1,3,5-8H3;19-20H,1,3,9-16H2,2,4-8H3;7-8,19-20H,1-2,9-18H2,3-6H3;7-8,18-19H,1-2,9-17H2,3-6H3;18-19H,1,3,7-15H2,2,4-6H3;7-8,17-18H,1-2,9-16H2,3-6H3;5-6,16-17H,1-2,7-15H2,3-4H3
InChIKeyKLQJRUMVLNSQPD-UHFFFAOYSA-N
XLogP39.30
TPSA420.80 Ų
H-Bond Donors
H-Bond Acceptors32
Rotatable Bonds134
Heavy Atoms210
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002960.39
LogP ≤ 539.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 7-[2,2-dimethyl-3-(2-methyl-5-oxohept-6-enoxy)propoxy]-6-methylhept-1-en-3-one;7-[3-(2,6-dimethyl-5-oxohept-6-enoxy)-2,2-dimethylpropoxy]-2,6-dimethylhept-1-en-3-one;7-[2-[(2,6-dimethyl-5-oxohept-6-enoxy)methyl]-2-ethylbutoxy]-2,6-dimethylhept-1-en-3-one;7-[2-[(2,6-dimethyl-5-oxohept-6-enoxy)methyl]-2-methylbutoxy]-2,6-dimethylhept-1-en-3-one;7-[3-(2,6-dimethyl-5-oxohept-6-enoxy)propoxy]-2,6-dimethylhept-1-en-3-one;7-[2-ethyl-2-[(2-methyl-5-oxohept-6-enoxy)methyl]butoxy]-6-methylhept-1-en-3-one;6-methyl-7-[2-methyl-2-[(2-methyl-5-oxohept-6-enoxy)methyl]butoxy]hept-1-en-3-one;6-methyl-7-[3-(2-methyl-5-oxohept-6-enoxy)propoxy]hept-1-en-3-one with MolForge

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Launch Full Analysis

Related Compounds

1,3-Dimethoxy-2-[[3-methoxy-2,2-bis(methoxymethyl)propoxy]methyl]-2-(methoxymethyl)propane;[6-oxo-13-propoxy-7-(6-propoxyhexyl)tridecyl] propanoate;4-prop-2-enylhepta-1,6-dien-3-one
CID 160230394
1-O-[6-methyl-2,2-bis(2-methylprop-2-enoyloxymethyl)-5-oxohept-6-enyl] 6-O-[3-(2-methylprop-2-enoyloxy)-2,2-bis(2-methylprop-2-enoyloxymethyl)propyl] 3-methylhexanedioate
CID 170682341
6-Methyl-7-[2-methyl-2-[(2-methyl-5-oxohept-6-enoxy)methyl]butoxy]hept-1-en-3-one
CID 157191803
7-[2-Ethyl-2-[(2-methyl-5-oxohept-6-enoxy)methyl]butoxy]-6-methylhept-1-en-3-one
CID 157191804
7-[3-(2,6-Dimethyl-5-oxohept-6-enoxy)-2,2-dimethylpropoxy]-2,6-dimethylhept-1-en-3-one
CID 157191805
7-[2-[(2,6-Dimethyl-5-oxohept-6-enoxy)methyl]-2-methylbutoxy]-2,6-dimethylhept-1-en-3-one
CID 157191806
7-[2-[(2,6-Dimethyl-5-oxohept-6-enoxy)methyl]-2-ethylbutoxy]-2,6-dimethylhept-1-en-3-one
CID 157191807
6-Methyl-7-[2-[(2-methyl-5-oxohept-6-enoxy)methyl]-2-octyldecoxy]hept-1-en-3-one
CID 157191808
7-[2-[(2,6-Dimethyl-5-oxohept-6-enoxy)methyl]-2-octyldecoxy]-2,6-dimethylhept-1-en-3-one
CID 157191809
7-[3-(2,6-Dimethyl-5-oxohept-6-enoxy)propoxy]-2,6-dimethylhept-1-en-3-one
CID 157454997
7-[2-Ethyl-2-[(6-methyl-5-oxohept-6-enoxy)methyl]butoxy]-2,6-dimethylhept-1-en-3-one
CID 161822857
2,6-Dimethyl-7-[2-[(6-methyl-5-oxohept-6-enoxy)methyl]-2-octyldecoxy]hept-1-en-3-one
CID 161822859

Frequently Asked Questions

What is the IUPAC name of 7-[2,2-dimethyl-3-(2-methyl-5-oxohept-6-enoxy)propoxy]-6-methylhept-1-en-3-one;7-[3-(2,6-dimethyl-5-oxohept-6-enoxy)-2,2-dimethylpropoxy]-2,6-dimethylhept-1-en-3-one;7-[2-[(2,6-dimethyl-5-oxohept-6-enoxy)methyl]-2-ethylbutoxy]-2,6-dimethylhept-1-en-3-one;7-[2-[(2,6-dimethyl-5-oxohept-6-enoxy)methyl]-2-methylbutoxy]-2,6-dimethylhept-1-en-3-one;7-[3-(2,6-dimethyl-5-oxohept-6-enoxy)propoxy]-2,6-dimethylhept-1-en-3-one;7-[2-ethyl-2-[(2-methyl-5-oxohept-6-enoxy)methyl]butoxy]-6-methylhept-1-en-3-one;6-methyl-7-[2-methyl-2-[(2-methyl-5-oxohept-6-enoxy)methyl]butoxy]hept-1-en-3-one;6-methyl-7-[3-(2-methyl-5-oxohept-6-enoxy)propoxy]hept-1-en-3-one?
The IUPAC name of 7-[2,2-dimethyl-3-(2-methyl-5-oxohept-6-enoxy)propoxy]-6-methylhept-1-en-3-one;7-[3-(2,6-dimethyl-5-oxohept-6-enoxy)-2,2-dimethylpropoxy]-2,6-dimethylhept-1-en-3-one;7-[2-[(2,6-dimethyl-5-oxohept-6-enoxy)methyl]-2-ethylbutoxy]-2,6-dimethylhept-1-en-3-one;7-[2-[(2,6-dimethyl-5-oxohept-6-enoxy)methyl]-2-methylbutoxy]-2,6-dimethylhept-1-en-3-one;7-[3-(2,6-dimethyl-5-oxohept-6-enoxy)propoxy]-2,6-dimethylhept-1-en-3-one;7-[2-ethyl-2-[(2-methyl-5-oxohept-6-enoxy)methyl]butoxy]-6-methylhept-1-en-3-one;6-methyl-7-[2-methyl-2-[(2-methyl-5-oxohept-6-enoxy)methyl]butoxy]hept-1-en-3-one;6-methyl-7-[3-(2-methyl-5-oxohept-6-enoxy)propoxy]hept-1-en-3-one (CID 159170654) is 7-[2,2-dimethyl-3-(2-methyl-5-oxohept-6-enoxy)propoxy]-6-methylhept-1-en-3-one;7-[3-(2,6-dimethyl-5-oxohept-6-enoxy)-2,2-dimethylpropoxy]-2,6-dimethylhept-1-en-3-one;7-[2-[(2,6-dimethyl-5-oxohept-6-enoxy)methyl]-2-ethylbutoxy]-2,6-dimethylhept-1-en-3-one;7-[2-[(2,6-dimethyl-5-oxohept-6-enoxy)methyl]-2-methylbutoxy]-2,6-dimethylhept-1-en-3-one;7-[3-(2,6-dimethyl-5-oxohept-6-enoxy)propoxy]-2,6-dimethylhept-1-en-3-one;7-[2-ethyl-2-[(2-methyl-5-oxohept-6-enoxy)methyl]butoxy]-6-methylhept-1-en-3-one;6-methyl-7-[2-methyl-2-[(2-methyl-5-oxohept-6-enoxy)methyl]butoxy]hept-1-en-3-one;6-methyl-7-[3-(2-methyl-5-oxohept-6-enoxy)propoxy]hept-1-en-3-one.
What is the SMILES notation for 7-[2,2-dimethyl-3-(2-methyl-5-oxohept-6-enoxy)propoxy]-6-methylhept-1-en-3-one;7-[3-(2,6-dimethyl-5-oxohept-6-enoxy)-2,2-dimethylpropoxy]-2,6-dimethylhept-1-en-3-one;7-[2-[(2,6-dimethyl-5-oxohept-6-enoxy)methyl]-2-ethylbutoxy]-2,6-dimethylhept-1-en-3-one;7-[2-[(2,6-dimethyl-5-oxohept-6-enoxy)methyl]-2-methylbutoxy]-2,6-dimethylhept-1-en-3-one;7-[3-(2,6-dimethyl-5-oxohept-6-enoxy)propoxy]-2,6-dimethylhept-1-en-3-one;7-[2-ethyl-2-[(2-methyl-5-oxohept-6-enoxy)methyl]butoxy]-6-methylhept-1-en-3-one;6-methyl-7-[2-methyl-2-[(2-methyl-5-oxohept-6-enoxy)methyl]butoxy]hept-1-en-3-one;6-methyl-7-[3-(2-methyl-5-oxohept-6-enoxy)propoxy]hept-1-en-3-one?
The canonical SMILES for 7-[2,2-dimethyl-3-(2-methyl-5-oxohept-6-enoxy)propoxy]-6-methylhept-1-en-3-one;7-[3-(2,6-dimethyl-5-oxohept-6-enoxy)-2,2-dimethylpropoxy]-2,6-dimethylhept-1-en-3-one;7-[2-[(2,6-dimethyl-5-oxohept-6-enoxy)methyl]-2-ethylbutoxy]-2,6-dimethylhept-1-en-3-one;7-[2-[(2,6-dimethyl-5-oxohept-6-enoxy)methyl]-2-methylbutoxy]-2,6-dimethylhept-1-en-3-one;7-[3-(2,6-dimethyl-5-oxohept-6-enoxy)propoxy]-2,6-dimethylhept-1-en-3-one;7-[2-ethyl-2-[(2-methyl-5-oxohept-6-enoxy)methyl]butoxy]-6-methylhept-1-en-3-one;6-methyl-7-[2-methyl-2-[(2-methyl-5-oxohept-6-enoxy)methyl]butoxy]hept-1-en-3-one;6-methyl-7-[3-(2-methyl-5-oxohept-6-enoxy)propoxy]hept-1-en-3-one is C=C(C)C(=O)CCC(C)COCC(C)(C)COCC(C)CCC(=O)C(=C)C.C=C(C)C(=O)CCC(C)COCC(C)(CC)COCC(C)CCC(=O)C(=C)C.C=C(C)C(=O)CCC(C)COCC(CC)(CC)COCC(C)CCC(=O)C(=C)C.C=C(C)C(=O)CCC(C)COCCCOCC(C)CCC(=O)C(=C)C.C=CC(=O)CCC(C)COCC(C)(C)COCC(C)CCC(=O)C=C.C=CC(=O)CCC(C)COCC(C)(CC)COCC(C)CCC(=O)C=C.C=CC(=O)CCC(C)COCC(CC)(CC)COCC(C)CCC(=O)C=C.C=CC(=O)CCC(C)COCCCOCC(C)CCC(=O)C=C.
What is the InChIKey of 7-[2,2-dimethyl-3-(2-methyl-5-oxohept-6-enoxy)propoxy]-6-methylhept-1-en-3-one;7-[3-(2,6-dimethyl-5-oxohept-6-enoxy)-2,2-dimethylpropoxy]-2,6-dimethylhept-1-en-3-one;7-[2-[(2,6-dimethyl-5-oxohept-6-enoxy)methyl]-2-ethylbutoxy]-2,6-dimethylhept-1-en-3-one;7-[2-[(2,6-dimethyl-5-oxohept-6-enoxy)methyl]-2-methylbutoxy]-2,6-dimethylhept-1-en-3-one;7-[3-(2,6-dimethyl-5-oxohept-6-enoxy)propoxy]-2,6-dimethylhept-1-en-3-one;7-[2-ethyl-2-[(2-methyl-5-oxohept-6-enoxy)methyl]butoxy]-6-methylhept-1-en-3-one;6-methyl-7-[2-methyl-2-[(2-methyl-5-oxohept-6-enoxy)methyl]butoxy]hept-1-en-3-one;6-methyl-7-[3-(2-methyl-5-oxohept-6-enoxy)propoxy]hept-1-en-3-one?
The InChIKey is KLQJRUMVLNSQPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H44O4.C24H42O4.2C23H40O4.C22H38O4.2C21H36O4.C19H32O4/c1-9-25(10-2,17-28-15-21(7)11-13-23(26)19(3)4)18-29-16-22(8)12-14-24(27)20(5)6;1-9-24(8,16-27-14-20(6)10-12-22(25)18(2)3)17-28-15-21(7)11-13-23(26)19(4)5;1-17(2)21(24)11-9-19(5)13-26-15-23(7,8)16-27-14-20(6)10-12-22(25)18(3)4;1-7-21(24)13-11-19(5)15-26-17-23(9-3,10-4)18-27-16-20(6)12-14-22(25)8-2;1-7-20(23)12-10-18(4)14-25-16-22(6,9-3)17-26-15-19(5)11-13-21(24)8-2;1-16(2)20(22)10-8-18(5)14-24-12-7-13-25-15-19(6)9-11-21(23)17(3)4;1-7-19(22)11-9-17(3)13-24-15-21(5,6)16-25-14-18(4)10-12-20(23)8-2;1-5-18(20)10-8-16(3)14-22-12-7-13-23-15-17(4)9-11-19(21)6-2/h21-22H,3,5,9-18H2,1-2,4,6-8H3;20-21H,2,4,9-17H2,1,3,5-8H3;19-20H,1,3,9-16H2,2,4-8H3;7-8,19-20H,1-2,9-18H2,3-6H3;7-8,18-19H,1-2,9-17H2,3-6H3;18-19H,1,3,7-15H2,2,4-6H3;7-8,17-18H,1-2,9-16H2,3-6H3;5-6,16-17H,1-2,7-15H2,3-4H3.
What are the key properties of 7-[2,2-dimethyl-3-(2-methyl-5-oxohept-6-enoxy)propoxy]-6-methylhept-1-en-3-one;7-[3-(2,6-dimethyl-5-oxohept-6-enoxy)-2,2-dimethylpropoxy]-2,6-dimethylhept-1-en-3-one;7-[2-[(2,6-dimethyl-5-oxohept-6-enoxy)methyl]-2-ethylbutoxy]-2,6-dimethylhept-1-en-3-one;7-[2-[(2,6-dimethyl-5-oxohept-6-enoxy)methyl]-2-methylbutoxy]-2,6-dimethylhept-1-en-3-one;7-[3-(2,6-dimethyl-5-oxohept-6-enoxy)propoxy]-2,6-dimethylhept-1-en-3-one;7-[2-ethyl-2-[(2-methyl-5-oxohept-6-enoxy)methyl]butoxy]-6-methylhept-1-en-3-one;6-methyl-7-[2-methyl-2-[(2-methyl-5-oxohept-6-enoxy)methyl]butoxy]hept-1-en-3-one;6-methyl-7-[3-(2-methyl-5-oxohept-6-enoxy)propoxy]hept-1-en-3-one?
7-[2,2-dimethyl-3-(2-methyl-5-oxohept-6-enoxy)propoxy]-6-methylhept-1-en-3-one;7-[3-(2,6-dimethyl-5-oxohept-6-enoxy)-2,2-dimethylpropoxy]-2,6-dimethylhept-1-en-3-one;7-[2-[(2,6-dimethyl-5-oxohept-6-enoxy)methyl]-2-ethylbutoxy]-2,6-dimethylhept-1-en-3-one;7-[2-[(2,6-dimethyl-5-oxohept-6-enoxy)methyl]-2-methylbutoxy]-2,6-dimethylhept-1-en-3-one;7-[3-(2,6-dimethyl-5-oxohept-6-enoxy)propoxy]-2,6-dimethylhept-1-en-3-one;7-[2-ethyl-2-[(2-methyl-5-oxohept-6-enoxy)methyl]butoxy]-6-methylhept-1-en-3-one;6-methyl-7-[2-methyl-2-[(2-methyl-5-oxohept-6-enoxy)methyl]butoxy]hept-1-en-3-one;6-methyl-7-[3-(2-methyl-5-oxohept-6-enoxy)propoxy]hept-1-en-3-one has a molecular weight of 2960.39 g/mol, XLogP of 39.30, 134 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2,2-dimethyl-3-(2-methyl-5-oxohept-6-enoxy)propoxy]-6-methylhept-1-en-3-one;7-[3-(2,6-dimethyl-5-oxohept-6-enoxy)-2,2-dimethylpropoxy]-2,6-dimethylhept-1-en-3-one;7-[2-[(2,6-dimethyl-5-oxohept-6-enoxy)methyl]-2-ethylbutoxy]-2,6-dimethylhept-1-en-3-one;7-[2-[(2,6-dimethyl-5-oxohept-6-enoxy)methyl]-2-methylbutoxy]-2,6-dimethylhept-1-en-3-one;7-[3-(2,6-dimethyl-5-oxohept-6-enoxy)propoxy]-2,6-dimethylhept-1-en-3-one;7-[2-ethyl-2-[(2-methyl-5-oxohept-6-enoxy)methyl]butoxy]-6-methylhept-1-en-3-one;6-methyl-7-[2-methyl-2-[(2-methyl-5-oxohept-6-enoxy)methyl]butoxy]hept-1-en-3-one;6-methyl-7-[3-(2-methyl-5-oxohept-6-enoxy)propoxy]hept-1-en-3-one is sourced from PubChem (CID 159170654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).