8-[4-(ethoxymethoxymethyl)phenyl]-1,4-dioxaspiro[4.5]decane

C18H26O4 — CID 155468854

IUPAC8-[4-(ethoxymethoxymethyl)phenyl]-1,4-dioxaspiro[4.5]decane
SMILESCCOCOCc1ccc(C2CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C18H26O4/c1-2-19-14-20-13-15-3-5-16(6-4-15)17-7-9-18(10-8-17)21-11-12-22-18/h3-6,17H,2,7-14H2,1H3
InChIKeyMXWOZOYMALDFGO-UHFFFAOYSA-N
MW306.40 g/mol
LogP3.60
Rot. Bonds6

About 8-[4-(ethoxymethoxymethyl)phenyl]-1,4-dioxaspiro[4.5]decane

8-[4-(ethoxymethoxymethyl)phenyl]-1,4-dioxaspiro[4.5]decane (PubChem CID 155468854) has the molecular formula C18H26O4 and a molecular weight of 306.40 g/mol. Its IUPAC name is 8-[4-(ethoxymethoxymethyl)phenyl]-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name8-[4-(ethoxymethoxymethyl)phenyl]-1,4-dioxaspiro[4.5]decane
PubChem CID155468854
Molecular FormulaC18H26O4
Molecular Weight306.40 g/mol
Exact Mass306.18
IUPAC Name8-[4-(ethoxymethoxymethyl)phenyl]-1,4-dioxaspiro[4.5]decane
SMILESCCOCOCc1ccc(C2CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C18H26O4/c1-2-19-14-20-13-15-3-5-16(6-4-15)17-7-9-18(10-8-17)21-11-12-22-18/h3-6,17H,2,7-14H2,1H3
InChIKeyMXWOZOYMALDFGO-UHFFFAOYSA-N
XLogP3.60
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.40
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,3-Dioxolane, 2-methyl-4-phenyl-
CID 118119
4-Methylbenzaldehyde propyleneglycol acetal
CID 94001
1,3-Dioxolane, 2,4-dimethyl-2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-
CID 3034278
Sdz 51641
CID 146329
2-Methyl-2-phenyl-1,3-dioxolane
CID 138006
2,5-Dimethoxy-2,5-diphenyl-1,4-dioxane
CID 5059104
1,3-Dioxolane, 2,4-dimethyl-2-(5,6,7,8-tetrahydro-3,5,5,6,8,8-hexamethyl-2-naphthalenyl)-
CID 19912837
Benzene, 1-(dimethoxymethyl)-4-(1-methylethyl)-
CID 105591
1,4-Dioxaspiro[4.5]decane, 2-phenyl-
CID 97830
2-Methyl-2-[4-[[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]ditellanyl]phenyl]-1,3-dioxolane
CID 13068972
2-Methyl-2-[3-[[3-(2-methyl-1,3-dioxolan-2-yl)phenyl]ditellanyl]phenyl]-1,3-dioxolane
CID 155538832
2-Methyl-2-[2-[[2-(2-methyl-1,3-dioxolan-2-yl)phenyl]ditellanyl]phenyl]-1,3-dioxolane
CID 23162638

Frequently Asked Questions

What is the IUPAC name of 8-[4-(ethoxymethoxymethyl)phenyl]-1,4-dioxaspiro[4.5]decane?
The IUPAC name of 8-[4-(ethoxymethoxymethyl)phenyl]-1,4-dioxaspiro[4.5]decane (CID 155468854) is 8-[4-(ethoxymethoxymethyl)phenyl]-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for 8-[4-(ethoxymethoxymethyl)phenyl]-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for 8-[4-(ethoxymethoxymethyl)phenyl]-1,4-dioxaspiro[4.5]decane is CCOCOCc1ccc(C2CCC3(CC2)OCCO3)cc1.
What is the InChIKey of 8-[4-(ethoxymethoxymethyl)phenyl]-1,4-dioxaspiro[4.5]decane?
The InChIKey is MXWOZOYMALDFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O4/c1-2-19-14-20-13-15-3-5-16(6-4-15)17-7-9-18(10-8-17)21-11-12-22-18/h3-6,17H,2,7-14H2,1H3.
What are the key properties of 8-[4-(ethoxymethoxymethyl)phenyl]-1,4-dioxaspiro[4.5]decane?
8-[4-(ethoxymethoxymethyl)phenyl]-1,4-dioxaspiro[4.5]decane has a molecular weight of 306.40 g/mol, XLogP of 3.60, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(ethoxymethoxymethyl)phenyl]-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 155468854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).