[4,4-dimethyl-1-(14-methylsulfanyltetradecoxy)pentan-2-yl]oxymethylbenzene;[4,4-dimethyl-1-(13-methylsulfanyltridecoxy)pentan-2-yl]oxymethylbenzene;[4,4-dimethyl-1-(14-methylsulfinyltetradecoxy)pentan-2-yl]oxymethylbenzene;(4,4-dimethyl-1-pentadecoxypentan-2-yl)oxymethylbenzene;[4,4-dimethyl-1-(12-phenyldodecoxy)pentan-2-yl]oxymethylbenzene;1-[14-(4,4-dimethyl-2-phenylmethoxypentoxy)tetradecyl]imidazole;1-[13-(4,4-dimethyl-2-phenylmethoxypentoxy)tridecyl]pyrrole;(1-ethoxy-4,4-dimethylpentan-2-yl)oxymethylbenzene;[1-(12-ethylsulfanyldodecoxy)-4,4-dimethylpentan-2-yl]oxymethylbenzene;[1-(13-ethylsulfinyltridecoxy)-4,4-dimethylpentan-2-yl]oxymethylbenzene;(1-hexadecoxy-4,4-dimethylpentan-2-yl)oxymethylbenzene;methane

C313H545N3O24S5 — CID 158941701

IUPAC[4,4-dimethyl-1-(14-methylsulfanyltetradecoxy)pentan-2-yl]oxymethylbenzene;[4,4-dimethyl-1-(13-methylsulfanyltridecoxy)pentan-2-yl]oxymethylbenzene;[4,4-dimethyl-1-(14-methylsulfinyltetradecoxy)pentan-2-yl]oxymethylbenzene;(4,4-dimethyl-1-pentadecoxypentan-2-yl)oxymethylbenzene;[4,4-dimethyl-1-(12-phenyldodecoxy)pentan-2-yl]oxymethylbenzene;1-[14-(4,4-dimethyl-2-phenylmethoxypentoxy)tetradecyl]imidazole;1-[13-(4,4-dimethyl-2-phenylmethoxypentoxy)tridecyl]pyrrole;(1-ethoxy-4,4-dimethylpentan-2-yl)oxymethylbenzene;[1-(12-ethylsulfanyldodecoxy)-4,4-dimethylpentan-2-yl]oxymethylbenzene;[1-(13-ethylsulfinyltridecoxy)-4,4-dimethylpentan-2-yl]oxymethylbenzene;(1-hexadecoxy-4,4-dimethylpentan-2-yl)oxymethylbenzene;methane
SMILESC.CC(C)(C)CC(COCCCCCCCCCCCCCCn1ccnc1)OCc1ccccc1.CC(C)(C)CC(COCCCCCCCCCCCCCn1cccc1)OCc1ccccc1.CC(C)(C)CC(COCCCCCCCCCCCCc1ccccc1)OCc1ccccc1.CCCCCCCCCCCCCCCCOCC(CC(C)(C)C)OCc1ccccc1.CCCCCCCCCCCCCCCOCC(CC(C)(C)C)OCc1ccccc1.CCOCC(CC(C)(C)C)OCc1ccccc1.CCS(=O)CCCCCCCCCCCCCOCC(CC(C)(C)C)OCc1ccccc1.CCSCCCCCCCCCCCCOCC(CC(C)(C)C)OCc1ccccc1.CS(=O)CCCCCCCCCCCCCCOCC(CC(C)(C)C)OCc1ccccc1.CSCCCCCCCCCCCCCCOCC(CC(C)(C)C)OCc1ccccc1.CSCCCCCCCCCCCCCOCC(CC(C)(C)C)OCc1ccccc1
InChIInChI=1S/C32H50O2.C31H52N2O2.C31H51NO2.C30H54O2.2C29H52O3S.C29H52O2S.C29H52O2.2C28H50O2S.C16H26O2.CH4/c1-32(2,3)26-31(34-27-30-23-17-13-18-24-30)28-33-25-19-11-9-7-5-4-6-8-10-14-20-29-21-15-12-16-22-29;1-31(2,3)25-30(35-26-29-19-15-14-16-20-29)27-34-24-18-13-11-9-7-5-4-6-8-10-12-17-22-33-23-21-32-28-33;1-31(2,3)26-30(34-27-29-20-14-13-15-21-29)28-33-25-19-12-10-8-6-4-5-7-9-11-16-22-32-23-17-18-24-32;1-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-31-27-29(25-30(2,3)4)32-26-28-22-19-18-20-23-28;1-29(2,3)24-28(32-25-27-20-16-15-17-21-27)26-31-22-18-13-11-9-7-5-6-8-10-12-14-19-23-33(4)30;1-5-33(30)23-19-14-12-10-8-6-7-9-11-13-18-22-31-26-28(24-29(2,3)4)32-25-27-20-16-15-17-21-27;1-29(2,3)24-28(31-25-27-20-16-15-17-21-27)26-30-22-18-13-11-9-7-5-6-8-10-12-14-19-23-32-4;1-5-6-7-8-9-10-11-12-13-14-15-16-20-23-30-26-28(24-29(2,3)4)31-25-27-21-18-17-19-22-27;1-28(2,3)23-27(30-24-26-19-15-14-16-20-26)25-29-21-17-12-10-8-6-5-7-9-11-13-18-22-31-4;1-5-31-22-18-13-11-9-7-6-8-10-12-17-21-29-25-27(23-28(2,3)4)30-24-26-19-15-14-16-20-26;1-5-17-13-15(11-16(2,3)4)18-12-14-9-7-6-8-10-14;/h12-13,15-18,21-24,31H,4-11,14,19-20,25-28H2,1-3H3;14-16,19-21,23,28,30H,4-13,17-18,22,24-27H2,1-3H3;13-15,17-18,20-21,23-24,30H,4-12,16,19,22,25-28H2,1-3H3;18-20,22-23,29H,5-17,21,24-27H2,1-4H3;2*15-17,20-21,28H,5-14,18-19,22-26H2,1-4H3;15-17,20-21,28H,5-14,18-19,22-26H2,1-4H3;17-19,21-22,28H,5-16,20,23-26H2,1-4H3;2*14-16,19-20,27H,5-13,17-18,21-25H2,1-4H3;6-10,15H,5,11-13H2,1-4H3;1H4
InChIKeyJKIDMHVQYFVLQF-UHFFFAOYSA-N
MW4895.14 g/mol
LogP92.49
Rot. Bonds211

About [4,4-dimethyl-1-(14-methylsulfanyltetradecoxy)pentan-2-yl]oxymethylbenzene;[4,4-dimethyl-1-(13-methylsulfanyltridecoxy)pentan-2-yl]oxymethylbenzene;[4,4-dimethyl-1-(14-methylsulfinyltetradecoxy)pentan-2-yl]oxymethylbenzene;(4,4-dimethyl-1-pentadecoxypentan-2-yl)oxymethylbenzene;[4,4-dimethyl-1-(12-phenyldodecoxy)pentan-2-yl]oxymethylbenzene;1-[14-(4,4-dimethyl-2-phenylmethoxypentoxy)tetradecyl]imidazole;1-[13-(4,4-dimethyl-2-phenylmethoxypentoxy)tridecyl]pyrrole;(1-ethoxy-4,4-dimethylpentan-2-yl)oxymethylbenzene;[1-(12-ethylsulfanyldodecoxy)-4,4-dimethylpentan-2-yl]oxymethylbenzene;[1-(13-ethylsulfinyltridecoxy)-4,4-dimethylpentan-2-yl]oxymethylbenzene;(1-hexadecoxy-4,4-dimethylpentan-2-yl)oxymethylbenzene;methane

[4,4-dimethyl-1-(14-methylsulfanyltetradecoxy)pentan-2-yl]oxymethylbenzene;[4,4-dimethyl-1-(13-methylsulfanyltridecoxy)pentan-2-yl]oxymethylbenzene;[4,4-dimethyl-1-(14-methylsulfinyltetradecoxy)pentan-2-yl]oxymethylbenzene;(4,4-dimethyl-1-pentadecoxypentan-2-yl)oxymethylbenzene;[4,4-dimethyl-1-(12-phenyldodecoxy)pentan-2-yl]oxymethylbenzene;1-[14-(4,4-dimethyl-2-phenylmethoxypentoxy)tetradecyl]imidazole;1-[13-(4,4-dimethyl-2-phenylmethoxypentoxy)tridecyl]pyrrole;(1-ethoxy-4,4-dimethylpentan-2-yl)oxymethylbenzene;[1-(12-ethylsulfanyldodecoxy)-4,4-dimethylpentan-2-yl]oxymethylbenzene;[1-(13-ethylsulfinyltridecoxy)-4,4-dimethylpentan-2-yl]oxymethylbenzene;(1-hexadecoxy-4,4-dimethylpentan-2-yl)oxymethylbenzene;methane (PubChem CID 158941701) has the molecular formula C313H545N3O24S5 and a molecular weight of 4895.14 g/mol. Its IUPAC name is [4,4-dimethyl-1-(14-methylsulfanyltetradecoxy)pentan-2-yl]oxymethylbenzene;[4,4-dimethyl-1-(13-methylsulfanyltridecoxy)pentan-2-yl]oxymethylbenzene;[4,4-dimethyl-1-(14-methylsulfinyltetradecoxy)pentan-2-yl]oxymethylbenzene;(4,4-dimethyl-1-pentadecoxypentan-2-yl)oxymethylbenzene;[4,4-dimethyl-1-(12-phenyldodecoxy)pentan-2-yl]oxymethylbenzene;1-[14-(4,4-dimethyl-2-phenylmethoxypentoxy)tetradecyl]imidazole;1-[13-(4,4-dimethyl-2-phenylmethoxypentoxy)tridecyl]pyrrole;(1-ethoxy-4,4-dimethylpentan-2-yl)oxymethylbenzene;[1-(12-ethylsulfanyldodecoxy)-4,4-dimethylpentan-2-yl]oxymethylbenzene;[1-(13-ethylsulfinyltridecoxy)-4,4-dimethylpentan-2-yl]oxymethylbenzene;(1-hexadecoxy-4,4-dimethylpentan-2-yl)oxymethylbenzene;methane.

Molecular Properties

Compound Name[4,4-dimethyl-1-(14-methylsulfanyltetradecoxy)pentan-2-yl]oxymethylbenzene;[4,4-dimethyl-1-(13-methylsulfanyltridecoxy)pentan-2-yl]oxymethylbenzene;[4,4-dimethyl-1-(14-methylsulfinyltetradecoxy)pentan-2-yl]oxymethylbenzene;(4,4-dimethyl-1-pentadecoxypentan-2-yl)oxymethylbenzene;[4,4-dimethyl-1-(12-phenyldodecoxy)pentan-2-yl]oxymethylbenzene;1-[14-(4,4-dimethyl-2-phenylmethoxypentoxy)tetradecyl]imidazole;1-[13-(4,4-dimethyl-2-phenylmethoxypentoxy)tridecyl]pyrrole;(1-ethoxy-4,4-dimethylpentan-2-yl)oxymethylbenzene;[1-(12-ethylsulfanyldodecoxy)-4,4-dimethylpentan-2-yl]oxymethylbenzene;[1-(13-ethylsulfinyltridecoxy)-4,4-dimethylpentan-2-yl]oxymethylbenzene;(1-hexadecoxy-4,4-dimethylpentan-2-yl)oxymethylbenzene;methane
PubChem CID158941701
Molecular FormulaC313H545N3O24S5
Molecular Weight4895.14 g/mol
Exact Mass4891.01
IUPAC Name[4,4-dimethyl-1-(14-methylsulfanyltetradecoxy)pentan-2-yl]oxymethylbenzene;[4,4-dimethyl-1-(13-methylsulfanyltridecoxy)pentan-2-yl]oxymethylbenzene;[4,4-dimethyl-1-(14-methylsulfinyltetradecoxy)pentan-2-yl]oxymethylbenzene;(4,4-dimethyl-1-pentadecoxypentan-2-yl)oxymethylbenzene;[4,4-dimethyl-1-(12-phenyldodecoxy)pentan-2-yl]oxymethylbenzene;1-[14-(4,4-dimethyl-2-phenylmethoxypentoxy)tetradecyl]imidazole;1-[13-(4,4-dimethyl-2-phenylmethoxypentoxy)tridecyl]pyrrole;(1-ethoxy-4,4-dimethylpentan-2-yl)oxymethylbenzene;[1-(12-ethylsulfanyldodecoxy)-4,4-dimethylpentan-2-yl]oxymethylbenzene;[1-(13-ethylsulfinyltridecoxy)-4,4-dimethylpentan-2-yl]oxymethylbenzene;(1-hexadecoxy-4,4-dimethylpentan-2-yl)oxymethylbenzene;methane
SMILESC.CC(C)(C)CC(COCCCCCCCCCCCCCCn1ccnc1)OCc1ccccc1.CC(C)(C)CC(COCCCCCCCCCCCCCn1cccc1)OCc1ccccc1.CC(C)(C)CC(COCCCCCCCCCCCCc1ccccc1)OCc1ccccc1.CCCCCCCCCCCCCCCCOCC(CC(C)(C)C)OCc1ccccc1.CCCCCCCCCCCCCCCOCC(CC(C)(C)C)OCc1ccccc1.CCOCC(CC(C)(C)C)OCc1ccccc1.CCS(=O)CCCCCCCCCCCCCOCC(CC(C)(C)C)OCc1ccccc1.CCSCCCCCCCCCCCCOCC(CC(C)(C)C)OCc1ccccc1.CS(=O)CCCCCCCCCCCCCCOCC(CC(C)(C)C)OCc1ccccc1.CSCCCCCCCCCCCCCCOCC(CC(C)(C)C)OCc1ccccc1.CSCCCCCCCCCCCCCOCC(CC(C)(C)C)OCc1ccccc1
InChIInChI=1S/C32H50O2.C31H52N2O2.C31H51NO2.C30H54O2.2C29H52O3S.C29H52O2S.C29H52O2.2C28H50O2S.C16H26O2.CH4/c1-32(2,3)26-31(34-27-30-23-17-13-18-24-30)28-33-25-19-11-9-7-5-4-6-8-10-14-20-29-21-15-12-16-22-29;1-31(2,3)25-30(35-26-29-19-15-14-16-20-29)27-34-24-18-13-11-9-7-5-4-6-8-10-12-17-22-33-23-21-32-28-33;1-31(2,3)26-30(34-27-29-20-14-13-15-21-29)28-33-25-19-12-10-8-6-4-5-7-9-11-16-22-32-23-17-18-24-32;1-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-31-27-29(25-30(2,3)4)32-26-28-22-19-18-20-23-28;1-29(2,3)24-28(32-25-27-20-16-15-17-21-27)26-31-22-18-13-11-9-7-5-6-8-10-12-14-19-23-33(4)30;1-5-33(30)23-19-14-12-10-8-6-7-9-11-13-18-22-31-26-28(24-29(2,3)4)32-25-27-20-16-15-17-21-27;1-29(2,3)24-28(31-25-27-20-16-15-17-21-27)26-30-22-18-13-11-9-7-5-6-8-10-12-14-19-23-32-4;1-5-6-7-8-9-10-11-12-13-14-15-16-20-23-30-26-28(24-29(2,3)4)31-25-27-21-18-17-19-22-27;1-28(2,3)23-27(30-24-26-19-15-14-16-20-26)25-29-21-17-12-10-8-6-5-7-9-11-13-18-22-31-4;1-5-31-22-18-13-11-9-7-6-8-10-12-17-21-29-25-27(23-28(2,3)4)30-24-26-19-15-14-16-20-26;1-5-17-13-15(11-16(2,3)4)18-12-14-9-7-6-8-10-14;/h12-13,15-18,21-24,31H,4-11,14,19-20,25-28H2,1-3H3;14-16,19-21,23,28,30H,4-13,17-18,22,24-27H2,1-3H3;13-15,17-18,20-21,23-24,30H,4-12,16,19,22,25-28H2,1-3H3;18-20,22-23,29H,5-17,21,24-27H2,1-4H3;2*15-17,20-21,28H,5-14,18-19,22-26H2,1-4H3;15-17,20-21,28H,5-14,18-19,22-26H2,1-4H3;17-19,21-22,28H,5-16,20,23-26H2,1-4H3;2*14-16,19-20,27H,5-13,17-18,21-25H2,1-4H3;6-10,15H,5,11-13H2,1-4H3;1H4
InChIKeyJKIDMHVQYFVLQF-UHFFFAOYSA-N
XLogP92.49
TPSA259.95 Ų
H-Bond Donors
H-Bond Acceptors30
Rotatable Bonds211
Heavy Atoms345
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004895.14
LogP ≤ 592.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

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

Analyze [4,4-dimethyl-1-(14-methylsulfanyltetradecoxy)pentan-2-yl]oxymethylbenzene;[4,4-dimethyl-1-(13-methylsulfanyltridecoxy)pentan-2-yl]oxymethylbenzene;[4,4-dimethyl-1-(14-methylsulfinyltetradecoxy)pentan-2-yl]oxymethylbenzene;(4,4-dimethyl-1-pentadecoxypentan-2-yl)oxymethylbenzene;[4,4-dimethyl-1-(12-phenyldodecoxy)pentan-2-yl]oxymethylbenzene;1-[14-(4,4-dimethyl-2-phenylmethoxypentoxy)tetradecyl]imidazole;1-[13-(4,4-dimethyl-2-phenylmethoxypentoxy)tridecyl]pyrrole;(1-ethoxy-4,4-dimethylpentan-2-yl)oxymethylbenzene;[1-(12-ethylsulfanyldodecoxy)-4,4-dimethylpentan-2-yl]oxymethylbenzene;[1-(13-ethylsulfinyltridecoxy)-4,4-dimethylpentan-2-yl]oxymethylbenzene;(1-hexadecoxy-4,4-dimethylpentan-2-yl)oxymethylbenzene;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4,4-dimethyl-1-(14-methylsulfanyltetradecoxy)pentan-2-yl]oxymethylbenzene;[4,4-dimethyl-1-(13-methylsulfanyltridecoxy)pentan-2-yl]oxymethylbenzene;[4,4-dimethyl-1-(14-methylsulfinyltetradecoxy)pentan-2-yl]oxymethylbenzene;(4,4-dimethyl-1-pentadecoxypentan-2-yl)oxymethylbenzene;[4,4-dimethyl-1-(12-phenyldodecoxy)pentan-2-yl]oxymethylbenzene;1-[14-(4,4-dimethyl-2-phenylmethoxypentoxy)tetradecyl]imidazole;1-[13-(4,4-dimethyl-2-phenylmethoxypentoxy)tridecyl]pyrrole;(1-ethoxy-4,4-dimethylpentan-2-yl)oxymethylbenzene;[1-(12-ethylsulfanyldodecoxy)-4,4-dimethylpentan-2-yl]oxymethylbenzene;[1-(13-ethylsulfinyltridecoxy)-4,4-dimethylpentan-2-yl]oxymethylbenzene;(1-hexadecoxy-4,4-dimethylpentan-2-yl)oxymethylbenzene;methane?
The IUPAC name of [4,4-dimethyl-1-(14-methylsulfanyltetradecoxy)pentan-2-yl]oxymethylbenzene;[4,4-dimethyl-1-(13-methylsulfanyltridecoxy)pentan-2-yl]oxymethylbenzene;[4,4-dimethyl-1-(14-methylsulfinyltetradecoxy)pentan-2-yl]oxymethylbenzene;(4,4-dimethyl-1-pentadecoxypentan-2-yl)oxymethylbenzene;[4,4-dimethyl-1-(12-phenyldodecoxy)pentan-2-yl]oxymethylbenzene;1-[14-(4,4-dimethyl-2-phenylmethoxypentoxy)tetradecyl]imidazole;1-[13-(4,4-dimethyl-2-phenylmethoxypentoxy)tridecyl]pyrrole;(1-ethoxy-4,4-dimethylpentan-2-yl)oxymethylbenzene;[1-(12-ethylsulfanyldodecoxy)-4,4-dimethylpentan-2-yl]oxymethylbenzene;[1-(13-ethylsulfinyltridecoxy)-4,4-dimethylpentan-2-yl]oxymethylbenzene;(1-hexadecoxy-4,4-dimethylpentan-2-yl)oxymethylbenzene;methane (CID 158941701) is [4,4-dimethyl-1-(14-methylsulfanyltetradecoxy)pentan-2-yl]oxymethylbenzene;[4,4-dimethyl-1-(13-methylsulfanyltridecoxy)pentan-2-yl]oxymethylbenzene;[4,4-dimethyl-1-(14-methylsulfinyltetradecoxy)pentan-2-yl]oxymethylbenzene;(4,4-dimethyl-1-pentadecoxypentan-2-yl)oxymethylbenzene;[4,4-dimethyl-1-(12-phenyldodecoxy)pentan-2-yl]oxymethylbenzene;1-[14-(4,4-dimethyl-2-phenylmethoxypentoxy)tetradecyl]imidazole;1-[13-(4,4-dimethyl-2-phenylmethoxypentoxy)tridecyl]pyrrole;(1-ethoxy-4,4-dimethylpentan-2-yl)oxymethylbenzene;[1-(12-ethylsulfanyldodecoxy)-4,4-dimethylpentan-2-yl]oxymethylbenzene;[1-(13-ethylsulfinyltridecoxy)-4,4-dimethylpentan-2-yl]oxymethylbenzene;(1-hexadecoxy-4,4-dimethylpentan-2-yl)oxymethylbenzene;methane.
What is the SMILES notation for [4,4-dimethyl-1-(14-methylsulfanyltetradecoxy)pentan-2-yl]oxymethylbenzene;[4,4-dimethyl-1-(13-methylsulfanyltridecoxy)pentan-2-yl]oxymethylbenzene;[4,4-dimethyl-1-(14-methylsulfinyltetradecoxy)pentan-2-yl]oxymethylbenzene;(4,4-dimethyl-1-pentadecoxypentan-2-yl)oxymethylbenzene;[4,4-dimethyl-1-(12-phenyldodecoxy)pentan-2-yl]oxymethylbenzene;1-[14-(4,4-dimethyl-2-phenylmethoxypentoxy)tetradecyl]imidazole;1-[13-(4,4-dimethyl-2-phenylmethoxypentoxy)tridecyl]pyrrole;(1-ethoxy-4,4-dimethylpentan-2-yl)oxymethylbenzene;[1-(12-ethylsulfanyldodecoxy)-4,4-dimethylpentan-2-yl]oxymethylbenzene;[1-(13-ethylsulfinyltridecoxy)-4,4-dimethylpentan-2-yl]oxymethylbenzene;(1-hexadecoxy-4,4-dimethylpentan-2-yl)oxymethylbenzene;methane?
The canonical SMILES for [4,4-dimethyl-1-(14-methylsulfanyltetradecoxy)pentan-2-yl]oxymethylbenzene;[4,4-dimethyl-1-(13-methylsulfanyltridecoxy)pentan-2-yl]oxymethylbenzene;[4,4-dimethyl-1-(14-methylsulfinyltetradecoxy)pentan-2-yl]oxymethylbenzene;(4,4-dimethyl-1-pentadecoxypentan-2-yl)oxymethylbenzene;[4,4-dimethyl-1-(12-phenyldodecoxy)pentan-2-yl]oxymethylbenzene;1-[14-(4,4-dimethyl-2-phenylmethoxypentoxy)tetradecyl]imidazole;1-[13-(4,4-dimethyl-2-phenylmethoxypentoxy)tridecyl]pyrrole;(1-ethoxy-4,4-dimethylpentan-2-yl)oxymethylbenzene;[1-(12-ethylsulfanyldodecoxy)-4,4-dimethylpentan-2-yl]oxymethylbenzene;[1-(13-ethylsulfinyltridecoxy)-4,4-dimethylpentan-2-yl]oxymethylbenzene;(1-hexadecoxy-4,4-dimethylpentan-2-yl)oxymethylbenzene;methane is C.CC(C)(C)CC(COCCCCCCCCCCCCCCn1ccnc1)OCc1ccccc1.CC(C)(C)CC(COCCCCCCCCCCCCCn1cccc1)OCc1ccccc1.CC(C)(C)CC(COCCCCCCCCCCCCc1ccccc1)OCc1ccccc1.CCCCCCCCCCCCCCCCOCC(CC(C)(C)C)OCc1ccccc1.CCCCCCCCCCCCCCCOCC(CC(C)(C)C)OCc1ccccc1.CCOCC(CC(C)(C)C)OCc1ccccc1.CCS(=O)CCCCCCCCCCCCCOCC(CC(C)(C)C)OCc1ccccc1.CCSCCCCCCCCCCCCOCC(CC(C)(C)C)OCc1ccccc1.CS(=O)CCCCCCCCCCCCCCOCC(CC(C)(C)C)OCc1ccccc1.CSCCCCCCCCCCCCCCOCC(CC(C)(C)C)OCc1ccccc1.CSCCCCCCCCCCCCCOCC(CC(C)(C)C)OCc1ccccc1.
What is the InChIKey of [4,4-dimethyl-1-(14-methylsulfanyltetradecoxy)pentan-2-yl]oxymethylbenzene;[4,4-dimethyl-1-(13-methylsulfanyltridecoxy)pentan-2-yl]oxymethylbenzene;[4,4-dimethyl-1-(14-methylsulfinyltetradecoxy)pentan-2-yl]oxymethylbenzene;(4,4-dimethyl-1-pentadecoxypentan-2-yl)oxymethylbenzene;[4,4-dimethyl-1-(12-phenyldodecoxy)pentan-2-yl]oxymethylbenzene;1-[14-(4,4-dimethyl-2-phenylmethoxypentoxy)tetradecyl]imidazole;1-[13-(4,4-dimethyl-2-phenylmethoxypentoxy)tridecyl]pyrrole;(1-ethoxy-4,4-dimethylpentan-2-yl)oxymethylbenzene;[1-(12-ethylsulfanyldodecoxy)-4,4-dimethylpentan-2-yl]oxymethylbenzene;[1-(13-ethylsulfinyltridecoxy)-4,4-dimethylpentan-2-yl]oxymethylbenzene;(1-hexadecoxy-4,4-dimethylpentan-2-yl)oxymethylbenzene;methane?
The InChIKey is JKIDMHVQYFVLQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H50O2.C31H52N2O2.C31H51NO2.C30H54O2.2C29H52O3S.C29H52O2S.C29H52O2.2C28H50O2S.C16H26O2.CH4/c1-32(2,3)26-31(34-27-30-23-17-13-18-24-30)28-33-25-19-11-9-7-5-4-6-8-10-14-20-29-21-15-12-16-22-29;1-31(2,3)25-30(35-26-29-19-15-14-16-20-29)27-34-24-18-13-11-9-7-5-4-6-8-10-12-17-22-33-23-21-32-28-33;1-31(2,3)26-30(34-27-29-20-14-13-15-21-29)28-33-25-19-12-10-8-6-4-5-7-9-11-16-22-32-23-17-18-24-32;1-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-31-27-29(25-30(2,3)4)32-26-28-22-19-18-20-23-28;1-29(2,3)24-28(32-25-27-20-16-15-17-21-27)26-31-22-18-13-11-9-7-5-6-8-10-12-14-19-23-33(4)30;1-5-33(30)23-19-14-12-10-8-6-7-9-11-13-18-22-31-26-28(24-29(2,3)4)32-25-27-20-16-15-17-21-27;1-29(2,3)24-28(31-25-27-20-16-15-17-21-27)26-30-22-18-13-11-9-7-5-6-8-10-12-14-19-23-32-4;1-5-6-7-8-9-10-11-12-13-14-15-16-20-23-30-26-28(24-29(2,3)4)31-25-27-21-18-17-19-22-27;1-28(2,3)23-27(30-24-26-19-15-14-16-20-26)25-29-21-17-12-10-8-6-5-7-9-11-13-18-22-31-4;1-5-31-22-18-13-11-9-7-6-8-10-12-17-21-29-25-27(23-28(2,3)4)30-24-26-19-15-14-16-20-26;1-5-17-13-15(11-16(2,3)4)18-12-14-9-7-6-8-10-14;/h12-13,15-18,21-24,31H,4-11,14,19-20,25-28H2,1-3H3;14-16,19-21,23,28,30H,4-13,17-18,22,24-27H2,1-3H3;13-15,17-18,20-21,23-24,30H,4-12,16,19,22,25-28H2,1-3H3;18-20,22-23,29H,5-17,21,24-27H2,1-4H3;2*15-17,20-21,28H,5-14,18-19,22-26H2,1-4H3;15-17,20-21,28H,5-14,18-19,22-26H2,1-4H3;17-19,21-22,28H,5-16,20,23-26H2,1-4H3;2*14-16,19-20,27H,5-13,17-18,21-25H2,1-4H3;6-10,15H,5,11-13H2,1-4H3;1H4.
What are the key properties of [4,4-dimethyl-1-(14-methylsulfanyltetradecoxy)pentan-2-yl]oxymethylbenzene;[4,4-dimethyl-1-(13-methylsulfanyltridecoxy)pentan-2-yl]oxymethylbenzene;[4,4-dimethyl-1-(14-methylsulfinyltetradecoxy)pentan-2-yl]oxymethylbenzene;(4,4-dimethyl-1-pentadecoxypentan-2-yl)oxymethylbenzene;[4,4-dimethyl-1-(12-phenyldodecoxy)pentan-2-yl]oxymethylbenzene;1-[14-(4,4-dimethyl-2-phenylmethoxypentoxy)tetradecyl]imidazole;1-[13-(4,4-dimethyl-2-phenylmethoxypentoxy)tridecyl]pyrrole;(1-ethoxy-4,4-dimethylpentan-2-yl)oxymethylbenzene;[1-(12-ethylsulfanyldodecoxy)-4,4-dimethylpentan-2-yl]oxymethylbenzene;[1-(13-ethylsulfinyltridecoxy)-4,4-dimethylpentan-2-yl]oxymethylbenzene;(1-hexadecoxy-4,4-dimethylpentan-2-yl)oxymethylbenzene;methane?
[4,4-dimethyl-1-(14-methylsulfanyltetradecoxy)pentan-2-yl]oxymethylbenzene;[4,4-dimethyl-1-(13-methylsulfanyltridecoxy)pentan-2-yl]oxymethylbenzene;[4,4-dimethyl-1-(14-methylsulfinyltetradecoxy)pentan-2-yl]oxymethylbenzene;(4,4-dimethyl-1-pentadecoxypentan-2-yl)oxymethylbenzene;[4,4-dimethyl-1-(12-phenyldodecoxy)pentan-2-yl]oxymethylbenzene;1-[14-(4,4-dimethyl-2-phenylmethoxypentoxy)tetradecyl]imidazole;1-[13-(4,4-dimethyl-2-phenylmethoxypentoxy)tridecyl]pyrrole;(1-ethoxy-4,4-dimethylpentan-2-yl)oxymethylbenzene;[1-(12-ethylsulfanyldodecoxy)-4,4-dimethylpentan-2-yl]oxymethylbenzene;[1-(13-ethylsulfinyltridecoxy)-4,4-dimethylpentan-2-yl]oxymethylbenzene;(1-hexadecoxy-4,4-dimethylpentan-2-yl)oxymethylbenzene;methane has a molecular weight of 4895.14 g/mol, XLogP of 92.49, 211 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for [4,4-dimethyl-1-(14-methylsulfanyltetradecoxy)pentan-2-yl]oxymethylbenzene;[4,4-dimethyl-1-(13-methylsulfanyltridecoxy)pentan-2-yl]oxymethylbenzene;[4,4-dimethyl-1-(14-methylsulfinyltetradecoxy)pentan-2-yl]oxymethylbenzene;(4,4-dimethyl-1-pentadecoxypentan-2-yl)oxymethylbenzene;[4,4-dimethyl-1-(12-phenyldodecoxy)pentan-2-yl]oxymethylbenzene;1-[14-(4,4-dimethyl-2-phenylmethoxypentoxy)tetradecyl]imidazole;1-[13-(4,4-dimethyl-2-phenylmethoxypentoxy)tridecyl]pyrrole;(1-ethoxy-4,4-dimethylpentan-2-yl)oxymethylbenzene;[1-(12-ethylsulfanyldodecoxy)-4,4-dimethylpentan-2-yl]oxymethylbenzene;[1-(13-ethylsulfinyltridecoxy)-4,4-dimethylpentan-2-yl]oxymethylbenzene;(1-hexadecoxy-4,4-dimethylpentan-2-yl)oxymethylbenzene;methane is sourced from PubChem (CID 158941701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).