bis(1,6-bis[(2-methylpropan-2-yl)oxy]hexan-3-one);bis(1,5-bis[(2-methylpropan-2-yl)oxy]pentan-2-one);2-methyl-2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]propane;2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane;bis(2-[(2-methylpropan-2-yl)oxy]-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]acetamide);bis(3-[(2-methylpropan-2-yl)oxy]-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]propanamide)

C126H260N4O29 — CID 164974010

IUPACbis(1,6-bis[(2-methylpropan-2-yl)oxy]hexan-3-one);bis(1,5-bis[(2-methylpropan-2-yl)oxy]pentan-2-one);2-methyl-2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]propane;2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane;bis(2-[(2-methylpropan-2-yl)oxy]-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]acetamide);bis(3-[(2-methylpropan-2-yl)oxy]-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]propanamide)
SMILESCC(C)(C)OCCCC(=O)CCOC(C)(C)C.CC(C)(C)OCCCC(=O)CCOC(C)(C)C.CC(C)(C)OCCCC(=O)COC(C)(C)C.CC(C)(C)OCCCC(=O)COC(C)(C)C.CC(C)(C)OCCNC(=O)CCOC(C)(C)C.CC(C)(C)OCCNC(=O)CCOC(C)(C)C.CC(C)(C)OCCNC(=O)COC(C)(C)C.CC(C)(C)OCCNC(=O)COC(C)(C)C.CC(C)(C)OCCOC(C)(C)C.CC(C)(C)OCCOCCOC(C)(C)C
InChIInChI=1S/2C14H28O3.2C13H27NO3.2C13H26O3.2C12H25NO3.C12H26O3.C10H22O2/c2*1-13(2,3)16-10-7-8-12(15)9-11-17-14(4,5)6;2*1-12(2,3)16-9-7-11(15)14-8-10-17-13(4,5)6;2*1-12(2,3)15-9-7-8-11(14)10-16-13(4,5)6;2*1-11(2,3)15-8-7-13-10(14)9-16-12(4,5)6;1-11(2,3)14-9-7-13-8-10-15-12(4,5)6;1-9(2,3)11-7-8-12-10(4,5)6/h2*7-11H2,1-6H3;2*7-10H2,1-6H3,(H,14,15);2*7-10H2,1-6H3;2*7-9H2,1-6H3,(H,13,14);7-10H2,1-6H3;7-8H2,1-6H3
InChIKeyDNDFHQRFTDPVDS-UHFFFAOYSA-N
MW2295.46 g/mol
LogP25.60
Rot. Bonds57

About bis(1,6-bis[(2-methylpropan-2-yl)oxy]hexan-3-one);bis(1,5-bis[(2-methylpropan-2-yl)oxy]pentan-2-one);2-methyl-2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]propane;2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane;bis(2-[(2-methylpropan-2-yl)oxy]-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]acetamide);bis(3-[(2-methylpropan-2-yl)oxy]-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]propanamide)

bis(1,6-bis[(2-methylpropan-2-yl)oxy]hexan-3-one);bis(1,5-bis[(2-methylpropan-2-yl)oxy]pentan-2-one);2-methyl-2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]propane;2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane;bis(2-[(2-methylpropan-2-yl)oxy]-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]acetamide);bis(3-[(2-methylpropan-2-yl)oxy]-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]propanamide) (PubChem CID 164974010) has the molecular formula C126H260N4O29 and a molecular weight of 2295.46 g/mol. Its IUPAC name is bis(1,6-bis[(2-methylpropan-2-yl)oxy]hexan-3-one);bis(1,5-bis[(2-methylpropan-2-yl)oxy]pentan-2-one);2-methyl-2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]propane;2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane;bis(2-[(2-methylpropan-2-yl)oxy]-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]acetamide);bis(3-[(2-methylpropan-2-yl)oxy]-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]propanamide).

Molecular Properties

Compound Namebis(1,6-bis[(2-methylpropan-2-yl)oxy]hexan-3-one);bis(1,5-bis[(2-methylpropan-2-yl)oxy]pentan-2-one);2-methyl-2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]propane;2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane;bis(2-[(2-methylpropan-2-yl)oxy]-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]acetamide);bis(3-[(2-methylpropan-2-yl)oxy]-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]propanamide)
PubChem CID164974010
Molecular FormulaC126H260N4O29
Molecular Weight2295.46 g/mol
Exact Mass2293.90
IUPAC Namebis(1,6-bis[(2-methylpropan-2-yl)oxy]hexan-3-one);bis(1,5-bis[(2-methylpropan-2-yl)oxy]pentan-2-one);2-methyl-2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]propane;2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane;bis(2-[(2-methylpropan-2-yl)oxy]-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]acetamide);bis(3-[(2-methylpropan-2-yl)oxy]-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]propanamide)
SMILESCC(C)(C)OCCCC(=O)CCOC(C)(C)C.CC(C)(C)OCCCC(=O)CCOC(C)(C)C.CC(C)(C)OCCCC(=O)COC(C)(C)C.CC(C)(C)OCCCC(=O)COC(C)(C)C.CC(C)(C)OCCNC(=O)CCOC(C)(C)C.CC(C)(C)OCCNC(=O)CCOC(C)(C)C.CC(C)(C)OCCNC(=O)COC(C)(C)C.CC(C)(C)OCCNC(=O)COC(C)(C)C.CC(C)(C)OCCOC(C)(C)C.CC(C)(C)OCCOCCOC(C)(C)C
InChIInChI=1S/2C14H28O3.2C13H27NO3.2C13H26O3.2C12H25NO3.C12H26O3.C10H22O2/c2*1-13(2,3)16-10-7-8-12(15)9-11-17-14(4,5)6;2*1-12(2,3)16-9-7-11(15)14-8-10-17-13(4,5)6;2*1-12(2,3)15-9-7-8-11(14)10-16-13(4,5)6;2*1-11(2,3)15-8-7-13-10(14)9-16-12(4,5)6;1-11(2,3)14-9-7-13-8-10-15-12(4,5)6;1-9(2,3)11-7-8-12-10(4,5)6/h2*7-11H2,1-6H3;2*7-10H2,1-6H3,(H,14,15);2*7-10H2,1-6H3;2*7-9H2,1-6H3,(H,13,14);7-10H2,1-6H3;7-8H2,1-6H3
InChIKeyDNDFHQRFTDPVDS-UHFFFAOYSA-N
XLogP25.60
TPSA378.51 Ų
H-Bond Donors4
H-Bond Acceptors29
Rotatable Bonds57
Heavy Atoms159
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002295.46
LogP ≤ 525.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

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

Analyze bis(1,6-bis[(2-methylpropan-2-yl)oxy]hexan-3-one);bis(1,5-bis[(2-methylpropan-2-yl)oxy]pentan-2-one);2-methyl-2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]propane;2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane;bis(2-[(2-methylpropan-2-yl)oxy]-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]acetamide);bis(3-[(2-methylpropan-2-yl)oxy]-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]propanamide) with MolForge

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Related Compounds

N-[2-[2-(tert-butylamino)ethoxy]ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide;6-[2-(tert-butylamino)ethoxy]-1-[(2-methylpropan-2-yl)oxy]hexan-2-one;7-(tert-butylamino)-1-[(2-methylpropan-2-yl)oxy]heptan-2-one;N-[5-(tert-butylamino)pentyl]-2-[(2-methylpropan-2-yl)oxy]acetamide;5-[3-(tert-butylamino)propoxy]-1-[(2-methylpropan-2-yl)oxy]pentan-2-one;N-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butan-1-amine;N-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propoxy]butan-1-amine;2-methyl-N-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethyl]propan-2-amine;bis(2-methyl-N-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propyl]propan-2-amine)
CID 158704090
2-[(2-methylpropan-2-yl)oxy]-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]acetamide
CID 134170006
N-[2-[4-(tert-butylamino)butoxy]ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide;N-[2-[2-(tert-butylamino)ethoxy]ethyl]-2-methylpropan-2-amine;N-[2-[2-(tert-butylamino)ethoxy]ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide;6-[2-(tert-butylamino)ethoxy]-1-[(2-methylpropan-2-yl)oxy]hexan-2-one;N-[5-(tert-butylamino)pentyl]-2-[(2-methylpropan-2-yl)oxy]acetamide;5-[3-(tert-butylamino)propoxy]-1-[(2-methylpropan-2-yl)oxy]pentan-2-one;N-[3-[3-(tert-butylamino)propoxy]propyl]-2-[(2-methylpropan-2-yl)oxy]acetamide;N-tert-butyl-4-[2-(tert-butylamino)ethoxy]butan-1-amine;N-tert-butyl-4-[4-[(2-methylpropan-2-yl)oxy]butoxy]butan-1-amine;N-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propoxy]butan-1-amine;N-[3-(4,4-dimethylpentoxy)propyl]-2-methylpropan-2-amine;2-methyl-N-[3-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]propyl]propan-2-amine
CID 167562954
3,3-dimethyl-N-[7-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-4-oxoheptyl]butanamide
CID 161203588
4-methyl-4-(methylamino)-N-[2-[2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]ethoxy]ethyl]pentanamide
CID 171442691
N-(4-methoxybutyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605413
2-[(2-methylpropan-2-yl)oxy]-N-(3-sulfanylpropyl)acetamide
CID 155051712
N'-(4,4-dimethylpent-2-ynyl)-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]pentanediamide
CID 166497218
6-[4-(tert-butylamino)butoxy]-1-[(2-methylpropan-2-yl)oxy]hexan-2-one
CID 157233613
3-[4-[(2-methylpropan-2-yl)oxy]butoxy]-N-[2-(propan-2-ylamino)ethyl]propanamide
CID 163926575
N-(6-bromohexyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 107847524
3-methoxy-N-[2-[2-[2-(3-methoxypropanoylamino)ethoxy]ethoxy]ethyl]propanamide
CID 166969109

Frequently Asked Questions

What is the IUPAC name of bis(1,6-bis[(2-methylpropan-2-yl)oxy]hexan-3-one);bis(1,5-bis[(2-methylpropan-2-yl)oxy]pentan-2-one);2-methyl-2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]propane;2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane;bis(2-[(2-methylpropan-2-yl)oxy]-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]acetamide);bis(3-[(2-methylpropan-2-yl)oxy]-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]propanamide)?
The IUPAC name of bis(1,6-bis[(2-methylpropan-2-yl)oxy]hexan-3-one);bis(1,5-bis[(2-methylpropan-2-yl)oxy]pentan-2-one);2-methyl-2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]propane;2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane;bis(2-[(2-methylpropan-2-yl)oxy]-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]acetamide);bis(3-[(2-methylpropan-2-yl)oxy]-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]propanamide) (CID 164974010) is bis(1,6-bis[(2-methylpropan-2-yl)oxy]hexan-3-one);bis(1,5-bis[(2-methylpropan-2-yl)oxy]pentan-2-one);2-methyl-2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]propane;2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane;bis(2-[(2-methylpropan-2-yl)oxy]-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]acetamide);bis(3-[(2-methylpropan-2-yl)oxy]-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]propanamide).
What is the SMILES notation for bis(1,6-bis[(2-methylpropan-2-yl)oxy]hexan-3-one);bis(1,5-bis[(2-methylpropan-2-yl)oxy]pentan-2-one);2-methyl-2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]propane;2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane;bis(2-[(2-methylpropan-2-yl)oxy]-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]acetamide);bis(3-[(2-methylpropan-2-yl)oxy]-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]propanamide)?
The canonical SMILES for bis(1,6-bis[(2-methylpropan-2-yl)oxy]hexan-3-one);bis(1,5-bis[(2-methylpropan-2-yl)oxy]pentan-2-one);2-methyl-2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]propane;2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane;bis(2-[(2-methylpropan-2-yl)oxy]-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]acetamide);bis(3-[(2-methylpropan-2-yl)oxy]-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]propanamide) is CC(C)(C)OCCCC(=O)CCOC(C)(C)C.CC(C)(C)OCCCC(=O)CCOC(C)(C)C.CC(C)(C)OCCCC(=O)COC(C)(C)C.CC(C)(C)OCCCC(=O)COC(C)(C)C.CC(C)(C)OCCNC(=O)CCOC(C)(C)C.CC(C)(C)OCCNC(=O)CCOC(C)(C)C.CC(C)(C)OCCNC(=O)COC(C)(C)C.CC(C)(C)OCCNC(=O)COC(C)(C)C.CC(C)(C)OCCOC(C)(C)C.CC(C)(C)OCCOCCOC(C)(C)C.
What is the InChIKey of bis(1,6-bis[(2-methylpropan-2-yl)oxy]hexan-3-one);bis(1,5-bis[(2-methylpropan-2-yl)oxy]pentan-2-one);2-methyl-2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]propane;2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane;bis(2-[(2-methylpropan-2-yl)oxy]-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]acetamide);bis(3-[(2-methylpropan-2-yl)oxy]-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]propanamide)?
The InChIKey is DNDFHQRFTDPVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H28O3.2C13H27NO3.2C13H26O3.2C12H25NO3.C12H26O3.C10H22O2/c2*1-13(2,3)16-10-7-8-12(15)9-11-17-14(4,5)6;2*1-12(2,3)16-9-7-11(15)14-8-10-17-13(4,5)6;2*1-12(2,3)15-9-7-8-11(14)10-16-13(4,5)6;2*1-11(2,3)15-8-7-13-10(14)9-16-12(4,5)6;1-11(2,3)14-9-7-13-8-10-15-12(4,5)6;1-9(2,3)11-7-8-12-10(4,5)6/h2*7-11H2,1-6H3;2*7-10H2,1-6H3,(H,14,15);2*7-10H2,1-6H3;2*7-9H2,1-6H3,(H,13,14);7-10H2,1-6H3;7-8H2,1-6H3.
What are the key properties of bis(1,6-bis[(2-methylpropan-2-yl)oxy]hexan-3-one);bis(1,5-bis[(2-methylpropan-2-yl)oxy]pentan-2-one);2-methyl-2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]propane;2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane;bis(2-[(2-methylpropan-2-yl)oxy]-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]acetamide);bis(3-[(2-methylpropan-2-yl)oxy]-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]propanamide)?
bis(1,6-bis[(2-methylpropan-2-yl)oxy]hexan-3-one);bis(1,5-bis[(2-methylpropan-2-yl)oxy]pentan-2-one);2-methyl-2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]propane;2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane;bis(2-[(2-methylpropan-2-yl)oxy]-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]acetamide);bis(3-[(2-methylpropan-2-yl)oxy]-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]propanamide) has a molecular weight of 2295.46 g/mol, XLogP of 25.60, 57 rotatable bonds, 4 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,6-bis[(2-methylpropan-2-yl)oxy]hexan-3-one);bis(1,5-bis[(2-methylpropan-2-yl)oxy]pentan-2-one);2-methyl-2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]propane;2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane;bis(2-[(2-methylpropan-2-yl)oxy]-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]acetamide);bis(3-[(2-methylpropan-2-yl)oxy]-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]propanamide) is sourced from PubChem (CID 164974010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).