1-[2-[2-[2-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3,3-dimethylbutane

C28H58O9 — CID 153439578

IUPAC1-[2-[2-[2-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3,3-dimethylbutane
SMILESCC(C)(C)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(C)(C)C
InChIInChI=1S/C28H58O9/c1-27(2,3)7-9-29-11-13-31-15-17-33-19-21-35-23-25-37-26-24-36-22-20-34-18-16-32-14-12-30-10-8-28(4,5)6/h7-26H2,1-6H3
InChIKeyGBPIDLDNYVMXNE-UHFFFAOYSA-N
MW538.76 g/mol
LogP4.01
Rot. Bonds28

About 1-[2-[2-[2-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3,3-dimethylbutane

1-[2-[2-[2-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3,3-dimethylbutane (PubChem CID 153439578) has the molecular formula C28H58O9 and a molecular weight of 538.76 g/mol. Its IUPAC name is 1-[2-[2-[2-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3,3-dimethylbutane.

Molecular Properties

Compound Name1-[2-[2-[2-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3,3-dimethylbutane
PubChem CID153439578
Molecular FormulaC28H58O9
Molecular Weight538.76 g/mol
Exact Mass538.41
IUPAC Name1-[2-[2-[2-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3,3-dimethylbutane
SMILESCC(C)(C)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(C)(C)C
InChIInChI=1S/C28H58O9/c1-27(2,3)7-9-29-11-13-31-15-17-33-19-21-35-23-25-37-26-24-36-22-20-34-18-16-32-14-12-30-10-8-28(4,5)6/h7-26H2,1-6H3
InChIKeyGBPIDLDNYVMXNE-UHFFFAOYSA-N
XLogP4.01
TPSA83.07 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds28
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.76
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[2-[2-[2-(2,2-dimethylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3,3-dimethylbutane
CID 131972620
1-[2-(2-fluoroethoxy)ethoxy]-3,3-dimethylbutane
CID 58160227
3,3-dimethyl-1-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane
CID 153436884
1-[2-[3-(2,2-dimethylpropoxy)propoxy]ethoxy]-3,3-dimethylbutane
CID 176614157
2,2-dimethylpentane;3,3-dimethyl-1-propoxybutane;3,3-dimethyl-1-(2-propoxyethoxy)butane
CID 161233705
3,3-dimethyl-1-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]butane
CID 167646530
1-[2-[2-(3,3-dimethylbutoxy)ethyldisulfanyl]ethoxy]-3,3-dimethylbutane
CID 89088129
1-(3,3-dimethylbutoxy)-2-methylpropan-2-amine
CID 64537370
1-[2-(3,3-dimethylbutoxy)ethoxy]propan-2-one
CID 157295783
1-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4,4-dimethylpentan-3-one
CID 162486485
N-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethyl]propan-2-amine
CID 126671623
N-[2-(3,3-dimethylbutoxy)ethyl]-N,2-dimethylpropan-2-amine
CID 164724475

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[2-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3,3-dimethylbutane?
The IUPAC name of 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) is 1-[2-[2-[2-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3,3-dimethylbutane.
What is the SMILES notation for 1-[2-[2-[2-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3,3-dimethylbutane?
The canonical SMILES for 1-[2-[2-[2-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3,3-dimethylbutane is CC(C)(C)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(C)(C)C.
What is the InChIKey of 1-[2-[2-[2-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3,3-dimethylbutane?
The InChIKey is GBPIDLDNYVMXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H58O9/c1-27(2,3)7-9-29-11-13-31-15-17-33-19-21-35-23-25-37-26-24-36-22-20-34-18-16-32-14-12-30-10-8-28(4,5)6/h7-26H2,1-6H3.
What are the key properties of 1-[2-[2-[2-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3,3-dimethylbutane?
1-[2-[2-[2-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3,3-dimethylbutane has a molecular weight of 538.76 g/mol, XLogP of 4.01, 28 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[2-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3,3-dimethylbutane is sourced from PubChem (CID 153439578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).