4-methyl-6-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]hexan-3-one

C18H37NO5 — CID 170056959

IUPAC4-methyl-6-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]hexan-3-one
SMILESCCC(=O)C(C)CCOCCOCCOCCOCCNC(C)C
InChIInChI=1S/C18H37NO5/c1-5-18(20)17(4)6-8-21-10-12-23-14-15-24-13-11-22-9-7-19-16(2)3/h16-17,19H,5-15H2,1-4H3
InChIKeySRPBRZCHAROGKY-UHFFFAOYSA-N
MW347.50 g/mol
LogP2.06
Rot. Bonds18

About 4-methyl-6-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]hexan-3-one

4-methyl-6-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]hexan-3-one (PubChem CID 170056959) has the molecular formula C18H37NO5 and a molecular weight of 347.50 g/mol. Its IUPAC name is 4-methyl-6-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]hexan-3-one.

Molecular Properties

Compound Name4-methyl-6-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]hexan-3-one
PubChem CID170056959
Molecular FormulaC18H37NO5
Molecular Weight347.50 g/mol
Exact Mass347.27
IUPAC Name4-methyl-6-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]hexan-3-one
SMILESCCC(=O)C(C)CCOCCOCCOCCOCCNC(C)C
InChIInChI=1S/C18H37NO5/c1-5-18(20)17(4)6-8-21-10-12-23-14-15-24-13-11-22-9-7-19-16(2)3/h16-17,19H,5-15H2,1-4H3
InChIKeySRPBRZCHAROGKY-UHFFFAOYSA-N
XLogP2.06
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-6-(3-methylbutoxy)hexan-3-one
CID 63550352
3-methyl-1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]pentan-2-one;molecular hydrogen
CID 142523138
3-methyl-1-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]pentan-2-one;molecular hydrogen
CID 167520128
3-methyl-1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butan-2-one
CID 163495040
4-methyl-1-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]pentan-3-one
CID 135299160
1-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethylamino]butan-2-one
CID 176580900
molecular hydrogen;1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butan-2-one
CID 176981069
2-methyl-N-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 138727258
N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]acetamide
CID 153390666
1-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]propan-2-one
CID 138727906
2-methyl-N-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 138727326
2-[2-(propan-2-ylamino)ethoxy]ethyl acetate
CID 172574123

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]hexan-3-one?
The IUPAC name of 4-methyl-6-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]hexan-3-one (CID 170056959) is 4-methyl-6-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]hexan-3-one.
What is the SMILES notation for 4-methyl-6-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]hexan-3-one?
The canonical SMILES for 4-methyl-6-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]hexan-3-one is CCC(=O)C(C)CCOCCOCCOCCOCCNC(C)C.
What is the InChIKey of 4-methyl-6-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]hexan-3-one?
The InChIKey is SRPBRZCHAROGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO5/c1-5-18(20)17(4)6-8-21-10-12-23-14-15-24-13-11-22-9-7-19-16(2)3/h16-17,19H,5-15H2,1-4H3.
What are the key properties of 4-methyl-6-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]hexan-3-one?
4-methyl-6-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]hexan-3-one has a molecular weight of 347.50 g/mol, XLogP of 2.06, 18 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]hexan-3-one is sourced from PubChem (CID 170056959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).