1-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4,4-dimethylpentan-3-one

C23H46O7 — CID 162486485

IUPAC1-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4,4-dimethylpentan-3-one
SMILESCC(C)(C)CCOCCOCCOCCOCCOCCOCCC(=O)C(C)(C)C
InChIInChI=1S/C23H46O7/c1-22(2,3)8-10-26-12-14-28-16-18-30-20-19-29-17-15-27-13-11-25-9-7-21(24)23(4,5)6/h7-20H2,1-6H3
InChIKeyGXKAYUSOVPLLOO-UHFFFAOYSA-N
MW434.61 g/mol
LogP3.53
Rot. Bonds20

About 1-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4,4-dimethylpentan-3-one

1-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4,4-dimethylpentan-3-one (PubChem CID 162486485) has the molecular formula C23H46O7 and a molecular weight of 434.61 g/mol. Its IUPAC name is 1-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4,4-dimethylpentan-3-one.

Molecular Properties

Compound Name1-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4,4-dimethylpentan-3-one
PubChem CID162486485
Molecular FormulaC23H46O7
Molecular Weight434.61 g/mol
Exact Mass434.32
IUPAC Name1-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4,4-dimethylpentan-3-one
SMILESCC(C)(C)CCOCCOCCOCCOCCOCCOCCC(=O)C(C)(C)C
InChIInChI=1S/C23H46O7/c1-22(2,3)8-10-26-12-14-28-16-18-30-20-19-29-17-15-27-13-11-25-9-7-21(24)23(4,5)6/h7-20H2,1-6H3
InChIKeyGXKAYUSOVPLLOO-UHFFFAOYSA-N
XLogP3.53
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds20
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.61
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-[2-[2-(4,4-dimethyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]-4,4-dimethylpentanamide
CID 168855315
1-(2-butoxyethoxy)-4,4-dimethylpentan-3-one
CID 88916536
1-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]-5,5-dimethylhexan-3-one
CID 176880291
1-[2-[2-[2-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3,3-dimethylbutane
CID 153439578
1-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]-4,4-dimethylpentan-3-one
CID 59078266
1-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]-4,4-dimethylpentan-3-one;ethane;molecular hydrogen
CID 156735954
6-(5,5-dimethyl-4-oxohexoxy)-2,2-dimethylhexan-3-one
CID 148963643
1-[2-(3,3-dimethylbutoxy)ethoxy]propan-2-one
CID 157295783
tert-butyl-[2-(4,4-dimethyl-3-oxopentoxy)ethoxy]phosphinic acid
CID 130398403
4,4-dimethyl-1-[2-[2-(propylamino)ethoxy]ethoxy]pentan-3-one
CID 160706434
4,4-dimethyl-1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]pentan-3-one
CID 59866714
3-[2-(3,3-dimethylbutoxy)ethoxy]-N-propan-2-ylpropanamide
CID 155795090

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4,4-dimethylpentan-3-one?
The IUPAC name of 1-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4,4-dimethylpentan-3-one (CID 162486485) is 1-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4,4-dimethylpentan-3-one.
What is the SMILES notation for 1-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4,4-dimethylpentan-3-one?
The canonical SMILES for 1-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4,4-dimethylpentan-3-one is CC(C)(C)CCOCCOCCOCCOCCOCCOCCC(=O)C(C)(C)C.
What is the InChIKey of 1-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4,4-dimethylpentan-3-one?
The InChIKey is GXKAYUSOVPLLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46O7/c1-22(2,3)8-10-26-12-14-28-16-18-30-20-19-29-17-15-27-13-11-25-9-7-21(24)23(4,5)6/h7-20H2,1-6H3.
What are the key properties of 1-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4,4-dimethylpentan-3-one?
1-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4,4-dimethylpentan-3-one has a molecular weight of 434.61 g/mol, XLogP of 3.53, 20 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4,4-dimethylpentan-3-one is sourced from PubChem (CID 162486485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).