8-[[2-(2,6-dimethylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,4-dioxaspiro[4.5]decane

C25H30O4 — CID 90390505

IUPAC8-[[2-(2,6-dimethylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,4-dioxaspiro[4.5]decane
SMILESCc1cccc(C)c1C1CCc2cc(OC3CCC4(CC3)OCCO4)ccc2O1
InChIInChI=1S/C25H30O4/c1-17-4-3-5-18(2)24(17)23-8-6-19-16-21(7-9-22(19)29-23)28-20-10-12-25(13-11-20)26-14-15-27-25/h3-5,7,9,16,20,23H,6,8,10-15H2,1-2H3
InChIKeyDHOOJMCBHTXYND-UHFFFAOYSA-N
MW394.51 g/mol
LogP5.43
Rot. Bonds3

About 8-[[2-(2,6-dimethylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,4-dioxaspiro[4.5]decane

8-[[2-(2,6-dimethylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,4-dioxaspiro[4.5]decane (PubChem CID 90390505) has the molecular formula C25H30O4 and a molecular weight of 394.51 g/mol. Its IUPAC name is 8-[[2-(2,6-dimethylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name8-[[2-(2,6-dimethylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,4-dioxaspiro[4.5]decane
PubChem CID90390505
Molecular FormulaC25H30O4
Molecular Weight394.51 g/mol
Exact Mass394.21
IUPAC Name8-[[2-(2,6-dimethylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,4-dioxaspiro[4.5]decane
SMILESCc1cccc(C)c1C1CCc2cc(OC3CCC4(CC3)OCCO4)ccc2O1
InChIInChI=1S/C25H30O4/c1-17-4-3-5-18(2)24(17)23-8-6-19-16-21(7-9-22(19)29-23)28-20-10-12-25(13-11-20)26-14-15-27-25/h3-5,7,9,16,20,23H,6,8,10-15H2,1-2H3
InChIKeyDHOOJMCBHTXYND-UHFFFAOYSA-N
XLogP5.43
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.51
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[[2-(2,6-dimethylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,4-dioxaspiro[4.5]decane?
The IUPAC name of 8-[[2-(2,6-dimethylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,4-dioxaspiro[4.5]decane (CID 90390505) is 8-[[2-(2,6-dimethylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for 8-[[2-(2,6-dimethylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for 8-[[2-(2,6-dimethylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,4-dioxaspiro[4.5]decane is Cc1cccc(C)c1C1CCc2cc(OC3CCC4(CC3)OCCO4)ccc2O1.
What is the InChIKey of 8-[[2-(2,6-dimethylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,4-dioxaspiro[4.5]decane?
The InChIKey is DHOOJMCBHTXYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30O4/c1-17-4-3-5-18(2)24(17)23-8-6-19-16-21(7-9-22(19)29-23)28-20-10-12-25(13-11-20)26-14-15-27-25/h3-5,7,9,16,20,23H,6,8,10-15H2,1-2H3.
What are the key properties of 8-[[2-(2,6-dimethylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,4-dioxaspiro[4.5]decane?
8-[[2-(2,6-dimethylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,4-dioxaspiro[4.5]decane has a molecular weight of 394.51 g/mol, XLogP of 5.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[2-(2,6-dimethylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 90390505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).