1-(2-methylpropoxy)-6-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]hexan-3-one

C19H38O6 — CID 161342010

IUPAC1-(2-methylpropoxy)-6-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]hexan-3-one
SMILESCC(C)COCCC(=O)CCCOCCOCCOCCOC(C)C
InChIInChI=1S/C19H38O6/c1-17(2)16-24-9-7-19(20)6-5-8-21-10-11-22-12-13-23-14-15-25-18(3)4/h17-18H,5-16H2,1-4H3
InChIKeyVMUGZLVHMPADJM-UHFFFAOYSA-N
MW362.51 g/mol
LogP2.87
Rot. Bonds19

About 1-(2-methylpropoxy)-6-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]hexan-3-one

1-(2-methylpropoxy)-6-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]hexan-3-one (PubChem CID 161342010) has the molecular formula C19H38O6 and a molecular weight of 362.51 g/mol. Its IUPAC name is 1-(2-methylpropoxy)-6-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]hexan-3-one.

Molecular Properties

Compound Name1-(2-methylpropoxy)-6-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]hexan-3-one
PubChem CID161342010
Molecular FormulaC19H38O6
Molecular Weight362.51 g/mol
Exact Mass362.27
IUPAC Name1-(2-methylpropoxy)-6-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]hexan-3-one
SMILESCC(C)COCCC(=O)CCCOCCOCCOCCOC(C)C
InChIInChI=1S/C19H38O6/c1-17(2)16-24-9-7-19(20)6-5-8-21-10-11-22-12-13-23-14-15-25-18(3)4/h17-18H,5-16H2,1-4H3
InChIKeyVMUGZLVHMPADJM-UHFFFAOYSA-N
XLogP2.87
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds19
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.51
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-(3-methylbutoxy)-1-propan-2-yloxyhexan-3-one
CID 148918739
6-methyl-1-[2-(2-methylpropoxy)ethoxy]heptan-4-one
CID 159838894
6-(3-methylbutoxy)-1-propan-2-yloxyhexan-3-one;3-methyl-1-propan-2-yloxybutane
CID 162169211
7-methyl-1-[2-[2-[2-(6-methyl-3-oxoheptoxy)ethoxy]ethoxy]ethoxy]octan-4-one
CID 157073137
2-methylpropyl 4-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]butanoate
CID 121469854
3-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]propanoic acid
CID 87457805
6-methyl-1-[2-[2-(6-methyl-4-oxoheptoxy)ethoxy]ethoxy]heptan-4-one
CID 158471590
3-[2-(2-propan-2-yloxyethoxy)ethoxy]propanoic acid
CID 87458033
3-[2-(2-methylpropoxy)ethoxy]propan-1-ol
CID 106448655
4-methyl-1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentan-3-one
CID 176650799
propyl 4-(2-propan-2-yloxyethoxy)butanoate
CID 121469615
2-[2-[2-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane
CID 87184275

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropoxy)-6-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]hexan-3-one?
The IUPAC name of 1-(2-methylpropoxy)-6-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]hexan-3-one (CID 161342010) is 1-(2-methylpropoxy)-6-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]hexan-3-one.
What is the SMILES notation for 1-(2-methylpropoxy)-6-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]hexan-3-one?
The canonical SMILES for 1-(2-methylpropoxy)-6-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]hexan-3-one is CC(C)COCCC(=O)CCCOCCOCCOCCOC(C)C.
What is the InChIKey of 1-(2-methylpropoxy)-6-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]hexan-3-one?
The InChIKey is VMUGZLVHMPADJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38O6/c1-17(2)16-24-9-7-19(20)6-5-8-21-10-11-22-12-13-23-14-15-25-18(3)4/h17-18H,5-16H2,1-4H3.
What are the key properties of 1-(2-methylpropoxy)-6-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]hexan-3-one?
1-(2-methylpropoxy)-6-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]hexan-3-one has a molecular weight of 362.51 g/mol, XLogP of 2.87, 19 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropoxy)-6-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]hexan-3-one is sourced from PubChem (CID 161342010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).