7-[(4-methoxyphenyl)methoxymethyl]-8-methyl-1,4-dioxaspiro[4.5]dec-7-ene

C18H24O4 — CID 578162

IUPAC7-[(4-methoxyphenyl)methoxymethyl]-8-methyl-1,4-dioxaspiro[4.5]dec-7-ene
SMILESCOc1ccc(COCC2=C(C)CCC3(C2)OCCO3)cc1
InChIInChI=1S/C18H24O4/c1-14-7-8-18(21-9-10-22-18)11-16(14)13-20-12-15-3-5-17(19-2)6-4-15/h3-6H,7-13H2,1-2H3
InChIKeyLTZBAQKTRIVCLD-UHFFFAOYSA-N
MW304.39 g/mol
LogP3.46
Rot. Bonds5

About 7-[(4-methoxyphenyl)methoxymethyl]-8-methyl-1,4-dioxaspiro[4.5]dec-7-ene

7-[(4-methoxyphenyl)methoxymethyl]-8-methyl-1,4-dioxaspiro[4.5]dec-7-ene (PubChem CID 578162) has the molecular formula C18H24O4 and a molecular weight of 304.39 g/mol. Its IUPAC name is 7-[(4-methoxyphenyl)methoxymethyl]-8-methyl-1,4-dioxaspiro[4.5]dec-7-ene.

Molecular Properties

Compound Name7-[(4-methoxyphenyl)methoxymethyl]-8-methyl-1,4-dioxaspiro[4.5]dec-7-ene
PubChem CID578162
Molecular FormulaC18H24O4
Molecular Weight304.39 g/mol
Exact Mass304.17
IUPAC Name7-[(4-methoxyphenyl)methoxymethyl]-8-methyl-1,4-dioxaspiro[4.5]dec-7-ene
SMILESCOc1ccc(COCC2=C(C)CCC3(C2)OCCO3)cc1
InChIInChI=1S/C18H24O4/c1-14-7-8-18(21-9-10-22-18)11-16(14)13-20-12-15-3-5-17(19-2)6-4-15/h3-6H,7-13H2,1-2H3
InChIKeyLTZBAQKTRIVCLD-UHFFFAOYSA-N
XLogP3.46
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1'R,4'aR,5'R,8'aS)-5'-[(2R)-1-[(4-methoxyphenyl)methoxy]-3-methylbutan-2-yl]-1'-[(2S)-1-[(4-methoxyphenyl)methoxy]propan-2-yl]-7'-methylspiro[1,3-dioxolane-2,3'-2,4,4a,5,6,8a-hexahydro-1H-naphthalene]
CID 11307849
(Z)-3-fluoro-3-[8-[(4-methoxyphenyl)methoxy]-1,4-dioxaspiro[4.5]decan-8-yl]prop-2-enal
CID 163295143
(4-methoxyphenyl)methyl hypobromite
CID 166766888
1-bromo-3-[(4-methoxyphenyl)methoxymethyl]-2-methylbenzene;1,4-dioxane
CID 159917178
1-methoxy-4-[[(E)-4-[(4-methoxyphenyl)methoxy]but-2-enoxy]methyl]benzene
CID 14814212
1-(ethylsulfanylmethoxymethyl)-4-methoxybenzene
CID 101098323
8-(4-methoxyphenyl)-1,4-dioxaspiro[4.5]decan-8-ol
CID 10934332
(4R)-4-[2-[(4-methoxyphenyl)methoxy]ethyl]-2,2-dimethyl-1,3-dioxolane
CID 11097485
ethyl (2S)-4-(4-methoxyphenyl)-2-[(7R)-8-oxo-1,4-dioxaspiro[4.5]decan-7-yl]butanoate
CID 143474558
4-(iodomethyl)-4-[(4-methoxyphenyl)methoxy]oxane
CID 114773658
1-methoxy-4-[2-(2-methoxyethoxy)ethoxymethyl]benzene
CID 102074732
1-(2-chloroprop-2-enoxymethyl)-4-methoxybenzene
CID 10798623

Frequently Asked Questions

What is the IUPAC name of 7-[(4-methoxyphenyl)methoxymethyl]-8-methyl-1,4-dioxaspiro[4.5]dec-7-ene?
The IUPAC name of 7-[(4-methoxyphenyl)methoxymethyl]-8-methyl-1,4-dioxaspiro[4.5]dec-7-ene (CID 578162) is 7-[(4-methoxyphenyl)methoxymethyl]-8-methyl-1,4-dioxaspiro[4.5]dec-7-ene.
What is the SMILES notation for 7-[(4-methoxyphenyl)methoxymethyl]-8-methyl-1,4-dioxaspiro[4.5]dec-7-ene?
The canonical SMILES for 7-[(4-methoxyphenyl)methoxymethyl]-8-methyl-1,4-dioxaspiro[4.5]dec-7-ene is COc1ccc(COCC2=C(C)CCC3(C2)OCCO3)cc1.
What is the InChIKey of 7-[(4-methoxyphenyl)methoxymethyl]-8-methyl-1,4-dioxaspiro[4.5]dec-7-ene?
The InChIKey is LTZBAQKTRIVCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O4/c1-14-7-8-18(21-9-10-22-18)11-16(14)13-20-12-15-3-5-17(19-2)6-4-15/h3-6H,7-13H2,1-2H3.
What are the key properties of 7-[(4-methoxyphenyl)methoxymethyl]-8-methyl-1,4-dioxaspiro[4.5]dec-7-ene?
7-[(4-methoxyphenyl)methoxymethyl]-8-methyl-1,4-dioxaspiro[4.5]dec-7-ene has a molecular weight of 304.39 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-methoxyphenyl)methoxymethyl]-8-methyl-1,4-dioxaspiro[4.5]dec-7-ene is sourced from PubChem (CID 578162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).