bis(bis(6-methyl-3-propan-2-ylheptyl) 9-[4-(dimethylamino)butyl]heptadecanedioate);[9-[4-(dimethylamino)butanoyloxy]-17-(7-methyl-4-propan-2-yloctanoyl)oxyheptadecyl] 7-methyl-4-propan-2-yloctanoate;[8-[4-(dimethylamino)butyl]-15-(7-methyl-4-propan-2-yloctanoyl)oxypentadecyl] 7-methyl-4-propan-2-yloctanoate;methane;(6-methyl-3-propan-2-ylheptyl) 7-[3-(dimethylamino)-2-[7-(6-methyl-3-propan-2-ylheptoxy)-7-oxoheptoxy]propoxy]heptanoate;(7-methyl-4-propan-2-yloctyl) 7-[1-[3-(dimethylamino)propanoyloxy]-3-[6-(7-methyl-4-propan-2-yloctoxy)-6-oxohexoxy]propan-2-yl]oxyheptanoate

C278H566N6O32 — CID 159381594

IUPACbis(bis(6-methyl-3-propan-2-ylheptyl) 9-[4-(dimethylamino)butyl]heptadecanedioate);[9-[4-(dimethylamino)butanoyloxy]-17-(7-methyl-4-propan-2-yloctanoyl)oxyheptadecyl] 7-methyl-4-propan-2-yloctanoate;[8-[4-(dimethylamino)butyl]-15-(7-methyl-4-propan-2-yloctanoyl)oxypentadecyl] 7-methyl-4-propan-2-yloctanoate;methane;(6-methyl-3-propan-2-ylheptyl) 7-[3-(dimethylamino)-2-[7-(6-methyl-3-propan-2-ylheptoxy)-7-oxoheptoxy]propoxy]heptanoate;(7-methyl-4-propan-2-yloctyl) 7-[1-[3-(dimethylamino)propanoyloxy]-3-[6-(7-methyl-4-propan-2-yloctoxy)-6-oxohexoxy]propan-2-yl]oxyheptanoate
SMILESC.C.C.C.C.C.C.C.C.C.CC(C)CCC(CCC(=O)OCCCCCCCC(CCCCCCCOC(=O)CCC(CCC(C)C)C(C)C)CCCCN(C)C)C(C)C.CC(C)CCC(CCC(=O)OCCCCCCCCC(CCCCCCCCOC(=O)CCC(CCC(C)C)C(C)C)OC(=O)CCCN(C)C)C(C)C.CC(C)CCC(CCCOC(=O)CCCCCCOC(COCCCCCC(=O)OCCCC(CCC(C)C)C(C)C)COC(=O)CCN(C)C)C(C)C.CC(C)CCC(CCOC(=O)CCCCCCCC(CCCCCCCC(=O)OCCC(CCC(C)C)C(C)C)CCCCN(C)C)C(C)C.CC(C)CCC(CCOC(=O)CCCCCCCC(CCCCCCCC(=O)OCCC(CCC(C)C)C(C)C)CCCCN(C)C)C(C)C.CC(C)CCC(CCOC(=O)CCCCCCOCC(CN(C)C)OCCCCCCC(=O)OCCC(CCC(C)C)C(C)C)C(C)C
InChIInChI=1S/C47H91NO6.C45H87NO8.3C45H89NO4.C41H81NO6.10CH4/c1-38(2)27-29-42(40(5)6)31-33-45(49)52-36-21-17-13-11-15-19-24-44(54-47(51)26-23-35-48(9)10)25-20-16-12-14-18-22-37-53-46(50)34-32-43(41(7)8)30-28-39(3)4;1-36(2)24-26-40(38(5)6)20-18-32-52-43(47)22-14-11-12-17-31-51-42(35-54-45(49)28-29-46(9)10)34-50-30-16-13-15-23-44(48)53-33-19-21-41(39(7)8)27-25-37(3)4;1-37(2)26-28-42(39(5)6)30-32-44(47)49-35-21-15-11-13-17-23-41(25-19-20-34-46(9)10)24-18-14-12-16-22-36-50-45(48)33-31-43(40(7)8)29-27-38(3)4;2*1-37(2)28-30-42(39(5)6)32-35-49-44(47)26-19-15-11-13-17-23-41(25-21-22-34-46(9)10)24-18-14-12-16-20-27-45(48)50-36-33-43(40(7)8)31-29-38(3)4;1-33(2)21-23-37(35(5)6)25-29-47-40(43)19-15-11-13-17-27-45-32-39(31-42(9)10)46-28-18-14-12-16-20-41(44)48-30-26-38(36(7)8)24-22-34(3)4;;;;;;;;;;/h38-44H,11-37H2,1-10H3;36-42H,11-35H2,1-10H3;3*37-43H,11-36H2,1-10H3;33-39H,11-32H2,1-10H3;10*1H4
InChIKeyLKZBSZWRVRALFX-UHFFFAOYSA-N
MW4505.60 g/mol
LogP78.96
Rot. Bonds212

About bis(bis(6-methyl-3-propan-2-ylheptyl) 9-[4-(dimethylamino)butyl]heptadecanedioate);[9-[4-(dimethylamino)butanoyloxy]-17-(7-methyl-4-propan-2-yloctanoyl)oxyheptadecyl] 7-methyl-4-propan-2-yloctanoate;[8-[4-(dimethylamino)butyl]-15-(7-methyl-4-propan-2-yloctanoyl)oxypentadecyl] 7-methyl-4-propan-2-yloctanoate;methane;(6-methyl-3-propan-2-ylheptyl) 7-[3-(dimethylamino)-2-[7-(6-methyl-3-propan-2-ylheptoxy)-7-oxoheptoxy]propoxy]heptanoate;(7-methyl-4-propan-2-yloctyl) 7-[1-[3-(dimethylamino)propanoyloxy]-3-[6-(7-methyl-4-propan-2-yloctoxy)-6-oxohexoxy]propan-2-yl]oxyheptanoate

bis(bis(6-methyl-3-propan-2-ylheptyl) 9-[4-(dimethylamino)butyl]heptadecanedioate);[9-[4-(dimethylamino)butanoyloxy]-17-(7-methyl-4-propan-2-yloctanoyl)oxyheptadecyl] 7-methyl-4-propan-2-yloctanoate;[8-[4-(dimethylamino)butyl]-15-(7-methyl-4-propan-2-yloctanoyl)oxypentadecyl] 7-methyl-4-propan-2-yloctanoate;methane;(6-methyl-3-propan-2-ylheptyl) 7-[3-(dimethylamino)-2-[7-(6-methyl-3-propan-2-ylheptoxy)-7-oxoheptoxy]propoxy]heptanoate;(7-methyl-4-propan-2-yloctyl) 7-[1-[3-(dimethylamino)propanoyloxy]-3-[6-(7-methyl-4-propan-2-yloctoxy)-6-oxohexoxy]propan-2-yl]oxyheptanoate (PubChem CID 159381594) has the molecular formula C278H566N6O32 and a molecular weight of 4505.60 g/mol. Its IUPAC name is bis(bis(6-methyl-3-propan-2-ylheptyl) 9-[4-(dimethylamino)butyl]heptadecanedioate);[9-[4-(dimethylamino)butanoyloxy]-17-(7-methyl-4-propan-2-yloctanoyl)oxyheptadecyl] 7-methyl-4-propan-2-yloctanoate;[8-[4-(dimethylamino)butyl]-15-(7-methyl-4-propan-2-yloctanoyl)oxypentadecyl] 7-methyl-4-propan-2-yloctanoate;methane;(6-methyl-3-propan-2-ylheptyl) 7-[3-(dimethylamino)-2-[7-(6-methyl-3-propan-2-ylheptoxy)-7-oxoheptoxy]propoxy]heptanoate;(7-methyl-4-propan-2-yloctyl) 7-[1-[3-(dimethylamino)propanoyloxy]-3-[6-(7-methyl-4-propan-2-yloctoxy)-6-oxohexoxy]propan-2-yl]oxyheptanoate.

Molecular Properties

Compound Namebis(bis(6-methyl-3-propan-2-ylheptyl) 9-[4-(dimethylamino)butyl]heptadecanedioate);[9-[4-(dimethylamino)butanoyloxy]-17-(7-methyl-4-propan-2-yloctanoyl)oxyheptadecyl] 7-methyl-4-propan-2-yloctanoate;[8-[4-(dimethylamino)butyl]-15-(7-methyl-4-propan-2-yloctanoyl)oxypentadecyl] 7-methyl-4-propan-2-yloctanoate;methane;(6-methyl-3-propan-2-ylheptyl) 7-[3-(dimethylamino)-2-[7-(6-methyl-3-propan-2-ylheptoxy)-7-oxoheptoxy]propoxy]heptanoate;(7-methyl-4-propan-2-yloctyl) 7-[1-[3-(dimethylamino)propanoyloxy]-3-[6-(7-methyl-4-propan-2-yloctoxy)-6-oxohexoxy]propan-2-yl]oxyheptanoate
PubChem CID159381594
Molecular FormulaC278H566N6O32
Molecular Weight4505.60 g/mol
Exact Mass4502.28
IUPAC Namebis(bis(6-methyl-3-propan-2-ylheptyl) 9-[4-(dimethylamino)butyl]heptadecanedioate);[9-[4-(dimethylamino)butanoyloxy]-17-(7-methyl-4-propan-2-yloctanoyl)oxyheptadecyl] 7-methyl-4-propan-2-yloctanoate;[8-[4-(dimethylamino)butyl]-15-(7-methyl-4-propan-2-yloctanoyl)oxypentadecyl] 7-methyl-4-propan-2-yloctanoate;methane;(6-methyl-3-propan-2-ylheptyl) 7-[3-(dimethylamino)-2-[7-(6-methyl-3-propan-2-ylheptoxy)-7-oxoheptoxy]propoxy]heptanoate;(7-methyl-4-propan-2-yloctyl) 7-[1-[3-(dimethylamino)propanoyloxy]-3-[6-(7-methyl-4-propan-2-yloctoxy)-6-oxohexoxy]propan-2-yl]oxyheptanoate
SMILESC.C.C.C.C.C.C.C.C.C.CC(C)CCC(CCC(=O)OCCCCCCCC(CCCCCCCOC(=O)CCC(CCC(C)C)C(C)C)CCCCN(C)C)C(C)C.CC(C)CCC(CCC(=O)OCCCCCCCCC(CCCCCCCCOC(=O)CCC(CCC(C)C)C(C)C)OC(=O)CCCN(C)C)C(C)C.CC(C)CCC(CCCOC(=O)CCCCCCOC(COCCCCCC(=O)OCCCC(CCC(C)C)C(C)C)COC(=O)CCN(C)C)C(C)C.CC(C)CCC(CCOC(=O)CCCCCCCC(CCCCCCCC(=O)OCCC(CCC(C)C)C(C)C)CCCCN(C)C)C(C)C.CC(C)CCC(CCOC(=O)CCCCCCCC(CCCCCCCC(=O)OCCC(CCC(C)C)C(C)C)CCCCN(C)C)C(C)C.CC(C)CCC(CCOC(=O)CCCCCCOCC(CN(C)C)OCCCCCCC(=O)OCCC(CCC(C)C)C(C)C)C(C)C
InChIInChI=1S/C47H91NO6.C45H87NO8.3C45H89NO4.C41H81NO6.10CH4/c1-38(2)27-29-42(40(5)6)31-33-45(49)52-36-21-17-13-11-15-19-24-44(54-47(51)26-23-35-48(9)10)25-20-16-12-14-18-22-37-53-46(50)34-32-43(41(7)8)30-28-39(3)4;1-36(2)24-26-40(38(5)6)20-18-32-52-43(47)22-14-11-12-17-31-51-42(35-54-45(49)28-29-46(9)10)34-50-30-16-13-15-23-44(48)53-33-19-21-41(39(7)8)27-25-37(3)4;1-37(2)26-28-42(39(5)6)30-32-44(47)49-35-21-15-11-13-17-23-41(25-19-20-34-46(9)10)24-18-14-12-16-22-36-50-45(48)33-31-43(40(7)8)29-27-38(3)4;2*1-37(2)28-30-42(39(5)6)32-35-49-44(47)26-19-15-11-13-17-23-41(25-21-22-34-46(9)10)24-18-14-12-16-20-27-45(48)50-36-33-43(40(7)8)31-29-38(3)4;1-33(2)21-23-37(35(5)6)25-29-47-40(43)19-15-11-13-17-27-45-32-39(31-42(9)10)46-28-18-14-12-16-20-41(44)48-30-26-38(36(7)8)24-22-34(3)4;;;;;;;;;;/h38-44H,11-37H2,1-10H3;36-42H,11-35H2,1-10H3;3*37-43H,11-36H2,1-10H3;33-39H,11-32H2,1-10H3;10*1H4
InChIKeyLKZBSZWRVRALFX-UHFFFAOYSA-N
XLogP78.96
TPSA424.56 Ų
H-Bond Donors
H-Bond Acceptors38
Rotatable Bonds212
Heavy Atoms316
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004505.60
LogP ≤ 578.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

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

Analyze bis(bis(6-methyl-3-propan-2-ylheptyl) 9-[4-(dimethylamino)butyl]heptadecanedioate);[9-[4-(dimethylamino)butanoyloxy]-17-(7-methyl-4-propan-2-yloctanoyl)oxyheptadecyl] 7-methyl-4-propan-2-yloctanoate;[8-[4-(dimethylamino)butyl]-15-(7-methyl-4-propan-2-yloctanoyl)oxypentadecyl] 7-methyl-4-propan-2-yloctanoate;methane;(6-methyl-3-propan-2-ylheptyl) 7-[3-(dimethylamino)-2-[7-(6-methyl-3-propan-2-ylheptoxy)-7-oxoheptoxy]propoxy]heptanoate;(7-methyl-4-propan-2-yloctyl) 7-[1-[3-(dimethylamino)propanoyloxy]-3-[6-(7-methyl-4-propan-2-yloctoxy)-6-oxohexoxy]propan-2-yl]oxyheptanoate with MolForge

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Related Compounds

bis(6-methyl-3-propan-2-ylheptyl) 9-[4-(dimethylamino)butanoyloxy]heptadecanedioate
CID 71610324
bis(7-methyl-4-propan-2-yloctyl) 9-[6-(dimethylamino)hexyl]heptadecanedioate
CID 167580076
4-octyldodecyl 6-[4-(dimethylamino)butanoyloxy]tridecanoate
CID 166117792
1-O-[14-[3-[9-[4-(dimethylamino)butanoyloxy]-17-oxo-17-(4-pentylnonoxy)heptadecanoyl]oxypropyl]-9,10-dimethyl-5-pentylnonadecyl] 17-O-(5-pentyldecyl) 9-[4-(dimethylamino)butanoyloxy]heptadecanedioate
CID 123521864
3-octylundecyl 7-[4-(dimethylamino)butanoyloxy]tetradecanoate
CID 166117799
9-O-[2-[4-(dimethylamino)butanoyloxy]-3-[6-(2-hexyldecoxy)-6-oxohexanoyl]oxypropyl] 1-O-nonyl nonanedioate
CID 170167084
15-O-nonyl 1-O-(4-pentylnonyl) 8-[4-(dimethylamino)butanoyloxy]-2,2-dimethylpentadecanedioate
CID 176756095
2-nonyldodecyl 8-[4-(dimethylamino)butanoyloxy]pentadecanoate
CID 171659230
10-O-[3-(diethylamino)propyl] 19-O-[7-[2-[2-[2-[4-[4-(dimethylamino)butanoyloxy]-7-[2-[2-oxo-2-(3-pentyloctoxy)ethyl]sulfanylacetyl]oxyheptoxy]-2-oxoethyl]sulfanylacetyl]oxyethyl]-3-methyl-2-(3-methylbutyl)-5-propyldodecyl] 1-O-(5-methyl-2-propan-2-ylhexyl) nonadecane-1,10,19-tricarboxylate
CID 139372234
[3-[4-(dimethylamino)butoxycarbonyloxy]-13-octanoyloxytridecyl] 9-pentyltetradecanoate
CID 167133559
3-ethylundecyl 7-[4-(dimethylamino)butanoyloxy]tetradecanoate
CID 171659227
bis(5-methylhexyl) 4-propan-2-ylpentadecanedioate
CID 87116847

Frequently Asked Questions

What is the IUPAC name of bis(bis(6-methyl-3-propan-2-ylheptyl) 9-[4-(dimethylamino)butyl]heptadecanedioate);[9-[4-(dimethylamino)butanoyloxy]-17-(7-methyl-4-propan-2-yloctanoyl)oxyheptadecyl] 7-methyl-4-propan-2-yloctanoate;[8-[4-(dimethylamino)butyl]-15-(7-methyl-4-propan-2-yloctanoyl)oxypentadecyl] 7-methyl-4-propan-2-yloctanoate;methane;(6-methyl-3-propan-2-ylheptyl) 7-[3-(dimethylamino)-2-[7-(6-methyl-3-propan-2-ylheptoxy)-7-oxoheptoxy]propoxy]heptanoate;(7-methyl-4-propan-2-yloctyl) 7-[1-[3-(dimethylamino)propanoyloxy]-3-[6-(7-methyl-4-propan-2-yloctoxy)-6-oxohexoxy]propan-2-yl]oxyheptanoate?
The IUPAC name of bis(bis(6-methyl-3-propan-2-ylheptyl) 9-[4-(dimethylamino)butyl]heptadecanedioate);[9-[4-(dimethylamino)butanoyloxy]-17-(7-methyl-4-propan-2-yloctanoyl)oxyheptadecyl] 7-methyl-4-propan-2-yloctanoate;[8-[4-(dimethylamino)butyl]-15-(7-methyl-4-propan-2-yloctanoyl)oxypentadecyl] 7-methyl-4-propan-2-yloctanoate;methane;(6-methyl-3-propan-2-ylheptyl) 7-[3-(dimethylamino)-2-[7-(6-methyl-3-propan-2-ylheptoxy)-7-oxoheptoxy]propoxy]heptanoate;(7-methyl-4-propan-2-yloctyl) 7-[1-[3-(dimethylamino)propanoyloxy]-3-[6-(7-methyl-4-propan-2-yloctoxy)-6-oxohexoxy]propan-2-yl]oxyheptanoate (CID 159381594) is bis(bis(6-methyl-3-propan-2-ylheptyl) 9-[4-(dimethylamino)butyl]heptadecanedioate);[9-[4-(dimethylamino)butanoyloxy]-17-(7-methyl-4-propan-2-yloctanoyl)oxyheptadecyl] 7-methyl-4-propan-2-yloctanoate;[8-[4-(dimethylamino)butyl]-15-(7-methyl-4-propan-2-yloctanoyl)oxypentadecyl] 7-methyl-4-propan-2-yloctanoate;methane;(6-methyl-3-propan-2-ylheptyl) 7-[3-(dimethylamino)-2-[7-(6-methyl-3-propan-2-ylheptoxy)-7-oxoheptoxy]propoxy]heptanoate;(7-methyl-4-propan-2-yloctyl) 7-[1-[3-(dimethylamino)propanoyloxy]-3-[6-(7-methyl-4-propan-2-yloctoxy)-6-oxohexoxy]propan-2-yl]oxyheptanoate.
What is the SMILES notation for bis(bis(6-methyl-3-propan-2-ylheptyl) 9-[4-(dimethylamino)butyl]heptadecanedioate);[9-[4-(dimethylamino)butanoyloxy]-17-(7-methyl-4-propan-2-yloctanoyl)oxyheptadecyl] 7-methyl-4-propan-2-yloctanoate;[8-[4-(dimethylamino)butyl]-15-(7-methyl-4-propan-2-yloctanoyl)oxypentadecyl] 7-methyl-4-propan-2-yloctanoate;methane;(6-methyl-3-propan-2-ylheptyl) 7-[3-(dimethylamino)-2-[7-(6-methyl-3-propan-2-ylheptoxy)-7-oxoheptoxy]propoxy]heptanoate;(7-methyl-4-propan-2-yloctyl) 7-[1-[3-(dimethylamino)propanoyloxy]-3-[6-(7-methyl-4-propan-2-yloctoxy)-6-oxohexoxy]propan-2-yl]oxyheptanoate?
The canonical SMILES for bis(bis(6-methyl-3-propan-2-ylheptyl) 9-[4-(dimethylamino)butyl]heptadecanedioate);[9-[4-(dimethylamino)butanoyloxy]-17-(7-methyl-4-propan-2-yloctanoyl)oxyheptadecyl] 7-methyl-4-propan-2-yloctanoate;[8-[4-(dimethylamino)butyl]-15-(7-methyl-4-propan-2-yloctanoyl)oxypentadecyl] 7-methyl-4-propan-2-yloctanoate;methane;(6-methyl-3-propan-2-ylheptyl) 7-[3-(dimethylamino)-2-[7-(6-methyl-3-propan-2-ylheptoxy)-7-oxoheptoxy]propoxy]heptanoate;(7-methyl-4-propan-2-yloctyl) 7-[1-[3-(dimethylamino)propanoyloxy]-3-[6-(7-methyl-4-propan-2-yloctoxy)-6-oxohexoxy]propan-2-yl]oxyheptanoate is C.C.C.C.C.C.C.C.C.C.CC(C)CCC(CCC(=O)OCCCCCCCC(CCCCCCCOC(=O)CCC(CCC(C)C)C(C)C)CCCCN(C)C)C(C)C.CC(C)CCC(CCC(=O)OCCCCCCCCC(CCCCCCCCOC(=O)CCC(CCC(C)C)C(C)C)OC(=O)CCCN(C)C)C(C)C.CC(C)CCC(CCCOC(=O)CCCCCCOC(COCCCCCC(=O)OCCCC(CCC(C)C)C(C)C)COC(=O)CCN(C)C)C(C)C.CC(C)CCC(CCOC(=O)CCCCCCCC(CCCCCCCC(=O)OCCC(CCC(C)C)C(C)C)CCCCN(C)C)C(C)C.CC(C)CCC(CCOC(=O)CCCCCCCC(CCCCCCCC(=O)OCCC(CCC(C)C)C(C)C)CCCCN(C)C)C(C)C.CC(C)CCC(CCOC(=O)CCCCCCOCC(CN(C)C)OCCCCCCC(=O)OCCC(CCC(C)C)C(C)C)C(C)C.
What is the InChIKey of bis(bis(6-methyl-3-propan-2-ylheptyl) 9-[4-(dimethylamino)butyl]heptadecanedioate);[9-[4-(dimethylamino)butanoyloxy]-17-(7-methyl-4-propan-2-yloctanoyl)oxyheptadecyl] 7-methyl-4-propan-2-yloctanoate;[8-[4-(dimethylamino)butyl]-15-(7-methyl-4-propan-2-yloctanoyl)oxypentadecyl] 7-methyl-4-propan-2-yloctanoate;methane;(6-methyl-3-propan-2-ylheptyl) 7-[3-(dimethylamino)-2-[7-(6-methyl-3-propan-2-ylheptoxy)-7-oxoheptoxy]propoxy]heptanoate;(7-methyl-4-propan-2-yloctyl) 7-[1-[3-(dimethylamino)propanoyloxy]-3-[6-(7-methyl-4-propan-2-yloctoxy)-6-oxohexoxy]propan-2-yl]oxyheptanoate?
The InChIKey is LKZBSZWRVRALFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H91NO6.C45H87NO8.3C45H89NO4.C41H81NO6.10CH4/c1-38(2)27-29-42(40(5)6)31-33-45(49)52-36-21-17-13-11-15-19-24-44(54-47(51)26-23-35-48(9)10)25-20-16-12-14-18-22-37-53-46(50)34-32-43(41(7)8)30-28-39(3)4;1-36(2)24-26-40(38(5)6)20-18-32-52-43(47)22-14-11-12-17-31-51-42(35-54-45(49)28-29-46(9)10)34-50-30-16-13-15-23-44(48)53-33-19-21-41(39(7)8)27-25-37(3)4;1-37(2)26-28-42(39(5)6)30-32-44(47)49-35-21-15-11-13-17-23-41(25-19-20-34-46(9)10)24-18-14-12-16-22-36-50-45(48)33-31-43(40(7)8)29-27-38(3)4;2*1-37(2)28-30-42(39(5)6)32-35-49-44(47)26-19-15-11-13-17-23-41(25-21-22-34-46(9)10)24-18-14-12-16-20-27-45(48)50-36-33-43(40(7)8)31-29-38(3)4;1-33(2)21-23-37(35(5)6)25-29-47-40(43)19-15-11-13-17-27-45-32-39(31-42(9)10)46-28-18-14-12-16-20-41(44)48-30-26-38(36(7)8)24-22-34(3)4;;;;;;;;;;/h38-44H,11-37H2,1-10H3;36-42H,11-35H2,1-10H3;3*37-43H,11-36H2,1-10H3;33-39H,11-32H2,1-10H3;10*1H4.
What are the key properties of bis(bis(6-methyl-3-propan-2-ylheptyl) 9-[4-(dimethylamino)butyl]heptadecanedioate);[9-[4-(dimethylamino)butanoyloxy]-17-(7-methyl-4-propan-2-yloctanoyl)oxyheptadecyl] 7-methyl-4-propan-2-yloctanoate;[8-[4-(dimethylamino)butyl]-15-(7-methyl-4-propan-2-yloctanoyl)oxypentadecyl] 7-methyl-4-propan-2-yloctanoate;methane;(6-methyl-3-propan-2-ylheptyl) 7-[3-(dimethylamino)-2-[7-(6-methyl-3-propan-2-ylheptoxy)-7-oxoheptoxy]propoxy]heptanoate;(7-methyl-4-propan-2-yloctyl) 7-[1-[3-(dimethylamino)propanoyloxy]-3-[6-(7-methyl-4-propan-2-yloctoxy)-6-oxohexoxy]propan-2-yl]oxyheptanoate?
bis(bis(6-methyl-3-propan-2-ylheptyl) 9-[4-(dimethylamino)butyl]heptadecanedioate);[9-[4-(dimethylamino)butanoyloxy]-17-(7-methyl-4-propan-2-yloctanoyl)oxyheptadecyl] 7-methyl-4-propan-2-yloctanoate;[8-[4-(dimethylamino)butyl]-15-(7-methyl-4-propan-2-yloctanoyl)oxypentadecyl] 7-methyl-4-propan-2-yloctanoate;methane;(6-methyl-3-propan-2-ylheptyl) 7-[3-(dimethylamino)-2-[7-(6-methyl-3-propan-2-ylheptoxy)-7-oxoheptoxy]propoxy]heptanoate;(7-methyl-4-propan-2-yloctyl) 7-[1-[3-(dimethylamino)propanoyloxy]-3-[6-(7-methyl-4-propan-2-yloctoxy)-6-oxohexoxy]propan-2-yl]oxyheptanoate has a molecular weight of 4505.60 g/mol, XLogP of 78.96, 212 rotatable bonds, 0 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for bis(bis(6-methyl-3-propan-2-ylheptyl) 9-[4-(dimethylamino)butyl]heptadecanedioate);[9-[4-(dimethylamino)butanoyloxy]-17-(7-methyl-4-propan-2-yloctanoyl)oxyheptadecyl] 7-methyl-4-propan-2-yloctanoate;[8-[4-(dimethylamino)butyl]-15-(7-methyl-4-propan-2-yloctanoyl)oxypentadecyl] 7-methyl-4-propan-2-yloctanoate;methane;(6-methyl-3-propan-2-ylheptyl) 7-[3-(dimethylamino)-2-[7-(6-methyl-3-propan-2-ylheptoxy)-7-oxoheptoxy]propoxy]heptanoate;(7-methyl-4-propan-2-yloctyl) 7-[1-[3-(dimethylamino)propanoyloxy]-3-[6-(7-methyl-4-propan-2-yloctoxy)-6-oxohexoxy]propan-2-yl]oxyheptanoate is sourced from PubChem (CID 159381594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).