1-methoxy-1-(1-methoxyethoxymethoxy)ethane;bis(2-methylbutan-2-ylbenzene)

C29H48O4 — CID 91407102

IUPAC1-methoxy-1-(1-methoxyethoxymethoxy)ethane;bis(2-methylbutan-2-ylbenzene)
SMILESCCC(C)(C)c1ccccc1.CCC(C)(C)c1ccccc1.COC(C)OCOC(C)OC
InChIInChI=1S/2C11H16.C7H16O4/c2*1-4-11(2,3)10-8-6-5-7-9-10;1-6(8-3)10-5-11-7(2)9-4/h2*5-9H,4H2,1-3H3;6-7H,5H2,1-4H3
InChIKeyDJMCEVXXIPZXRE-UHFFFAOYSA-N
MW460.70 g/mol
LogP7.71
Rot. Bonds10

About 1-methoxy-1-(1-methoxyethoxymethoxy)ethane;bis(2-methylbutan-2-ylbenzene)

1-methoxy-1-(1-methoxyethoxymethoxy)ethane;bis(2-methylbutan-2-ylbenzene) (PubChem CID 91407102) has the molecular formula C29H48O4 and a molecular weight of 460.70 g/mol. Its IUPAC name is 1-methoxy-1-(1-methoxyethoxymethoxy)ethane;bis(2-methylbutan-2-ylbenzene).

Molecular Properties

Compound Name1-methoxy-1-(1-methoxyethoxymethoxy)ethane;bis(2-methylbutan-2-ylbenzene)
PubChem CID91407102
Molecular FormulaC29H48O4
Molecular Weight460.70 g/mol
Exact Mass460.36
IUPAC Name1-methoxy-1-(1-methoxyethoxymethoxy)ethane;bis(2-methylbutan-2-ylbenzene)
SMILESCCC(C)(C)c1ccccc1.CCC(C)(C)c1ccccc1.COC(C)OCOC(C)OC
InChIInChI=1S/2C11H16.C7H16O4/c2*1-4-11(2,3)10-8-6-5-7-9-10;1-6(8-3)10-5-11-7(2)9-4/h2*5-9H,4H2,1-3H3;6-7H,5H2,1-4H3
InChIKeyDJMCEVXXIPZXRE-UHFFFAOYSA-N
XLogP7.71
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.70
LogP ≤ 57.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(3,3-Dimethoxy-2,2-dimethylpropyl)benzene
CID 175123
Benzene, 1,1'-(2,2-dimethoxyethylidene)bis-
CID 11085949
7,9,11-Trimethyl-3-(2-phenylethyl)-2,4-dioxaspiro[5.5]undec-8-ene
CID 2855152
Diphenylacetaldehyde diethylacetal
CID 11747648
Bis[(e)-2-methyl-3-phenylallyloxy]-methane
CID 12116232
(2,2-Dimethoxy-1-phenylethenyl)benzene
CID 86061220
3-(3-Phenylpropoxymethoxy)propylbenzene
CID 86146360
(3,3-Diethoxy-2,2-dimethylpropyl)benzene
CID 3023092
CID 90174545
CID 90174545
1-Tert-butyl-4-[3-[3-(4-tert-butylphenyl)prop-1-enoxy]prop-2-enyl]benzene
CID 67234611
2-[4-(5,5-Dimethyl-2-phenylcyclohexa-1,3-dien-1-yl)butoxy]oxane
CID 11850970
1,1'-(1,1-Diethoxybuta-1,2-diene-3,4-diyl)dibenzene
CID 71423656

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-1-(1-methoxyethoxymethoxy)ethane;bis(2-methylbutan-2-ylbenzene)?
The IUPAC name of 1-methoxy-1-(1-methoxyethoxymethoxy)ethane;bis(2-methylbutan-2-ylbenzene) (CID 91407102) is 1-methoxy-1-(1-methoxyethoxymethoxy)ethane;bis(2-methylbutan-2-ylbenzene).
What is the SMILES notation for 1-methoxy-1-(1-methoxyethoxymethoxy)ethane;bis(2-methylbutan-2-ylbenzene)?
The canonical SMILES for 1-methoxy-1-(1-methoxyethoxymethoxy)ethane;bis(2-methylbutan-2-ylbenzene) is CCC(C)(C)c1ccccc1.CCC(C)(C)c1ccccc1.COC(C)OCOC(C)OC.
What is the InChIKey of 1-methoxy-1-(1-methoxyethoxymethoxy)ethane;bis(2-methylbutan-2-ylbenzene)?
The InChIKey is DJMCEVXXIPZXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H16.C7H16O4/c2*1-4-11(2,3)10-8-6-5-7-9-10;1-6(8-3)10-5-11-7(2)9-4/h2*5-9H,4H2,1-3H3;6-7H,5H2,1-4H3.
What are the key properties of 1-methoxy-1-(1-methoxyethoxymethoxy)ethane;bis(2-methylbutan-2-ylbenzene)?
1-methoxy-1-(1-methoxyethoxymethoxy)ethane;bis(2-methylbutan-2-ylbenzene) has a molecular weight of 460.70 g/mol, XLogP of 7.71, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-1-(1-methoxyethoxymethoxy)ethane;bis(2-methylbutan-2-ylbenzene) is sourced from PubChem (CID 91407102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).