deuteriomethane;6-methyl-4a,10a-dihydrodibenzo-p-dioxin

C14H16O2 — CID 91207856

IUPACdeuteriomethane;6-methyl-4a,10a-dihydrodibenzo-p-dioxin
SMILESCc1cccc2c1OC1C=CC=CC1O2.[2H]C
InChIInChI=1S/C13H12O2.CH4/c1-9-5-4-8-12-13(9)15-11-7-3-2-6-10(11)14-12;/h2-8,10-11H,1H3;1H4/i;1D
InChIKeyYUFMJRAJXHTDBB-DIYDOPDJSA-N
MW217.29 g/mol
LogP3.27
Rot. Bonds

About deuteriomethane;6-methyl-4a,10a-dihydrodibenzo-p-dioxin

deuteriomethane;6-methyl-4a,10a-dihydrodibenzo-p-dioxin (PubChem CID 91207856) has the molecular formula C14H16O2 and a molecular weight of 217.29 g/mol. Its IUPAC name is deuteriomethane;6-methyl-4a,10a-dihydrodibenzo-p-dioxin.

Molecular Properties

Compound Namedeuteriomethane;6-methyl-4a,10a-dihydrodibenzo-p-dioxin
PubChem CID91207856
Molecular FormulaC14H16O2
Molecular Weight217.29 g/mol
Exact Mass217.12
IUPAC Namedeuteriomethane;6-methyl-4a,10a-dihydrodibenzo-p-dioxin
SMILESCc1cccc2c1OC1C=CC=CC1O2.[2H]C
InChIInChI=1S/C13H12O2.CH4/c1-9-5-4-8-12-13(9)15-11-7-3-2-6-10(11)14-12;/h2-8,10-11H,1H3;1H4/i;1D
InChIKeyYUFMJRAJXHTDBB-DIYDOPDJSA-N
XLogP3.27
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of deuteriomethane;6-methyl-4a,10a-dihydrodibenzo-p-dioxin?
The IUPAC name of deuteriomethane;6-methyl-4a,10a-dihydrodibenzo-p-dioxin (CID 91207856) is deuteriomethane;6-methyl-4a,10a-dihydrodibenzo-p-dioxin.
What is the SMILES notation for deuteriomethane;6-methyl-4a,10a-dihydrodibenzo-p-dioxin?
The canonical SMILES for deuteriomethane;6-methyl-4a,10a-dihydrodibenzo-p-dioxin is Cc1cccc2c1OC1C=CC=CC1O2.[2H]C.
What is the InChIKey of deuteriomethane;6-methyl-4a,10a-dihydrodibenzo-p-dioxin?
The InChIKey is YUFMJRAJXHTDBB-DIYDOPDJSA-N. The full InChI is InChI=1S/C13H12O2.CH4/c1-9-5-4-8-12-13(9)15-11-7-3-2-6-10(11)14-12;/h2-8,10-11H,1H3;1H4/i;1D.
What are the key properties of deuteriomethane;6-methyl-4a,10a-dihydrodibenzo-p-dioxin?
deuteriomethane;6-methyl-4a,10a-dihydrodibenzo-p-dioxin has a molecular weight of 217.29 g/mol, XLogP of 3.27, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for deuteriomethane;6-methyl-4a,10a-dihydrodibenzo-p-dioxin is sourced from PubChem (CID 91207856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).