3-methyl-8,8-diphenyl-1,6-dioxaspiro[4.4]non-3-en-2-one

C20H18O3 — CID 172769184

IUPAC3-methyl-8,8-diphenyl-1,6-dioxaspiro[4.4]non-3-en-2-one
SMILESCC1=CC2(CC(c3ccccc3)(c3ccccc3)CO2)OC1=O
InChIInChI=1S/C20H18O3/c1-15-12-20(23-18(15)21)13-19(14-22-20,16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-12H,13-14H2,1H3
InChIKeyMSJNYMYBSPBVNC-UHFFFAOYSA-N
MW306.36 g/mol
LogP3.59
Rot. Bonds2

About 3-methyl-8,8-diphenyl-1,6-dioxaspiro[4.4]non-3-en-2-one

3-methyl-8,8-diphenyl-1,6-dioxaspiro[4.4]non-3-en-2-one (PubChem CID 172769184) has the molecular formula C20H18O3 and a molecular weight of 306.36 g/mol. Its IUPAC name is 3-methyl-8,8-diphenyl-1,6-dioxaspiro[4.4]non-3-en-2-one.

Molecular Properties

Compound Name3-methyl-8,8-diphenyl-1,6-dioxaspiro[4.4]non-3-en-2-one
PubChem CID172769184
Molecular FormulaC20H18O3
Molecular Weight306.36 g/mol
Exact Mass306.13
IUPAC Name3-methyl-8,8-diphenyl-1,6-dioxaspiro[4.4]non-3-en-2-one
SMILESCC1=CC2(CC(c3ccccc3)(c3ccccc3)CO2)OC1=O
InChIInChI=1S/C20H18O3/c1-15-12-20(23-18(15)21)13-19(14-22-20,16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-12H,13-14H2,1H3
InChIKeyMSJNYMYBSPBVNC-UHFFFAOYSA-N
XLogP3.59
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-8,8-diphenyl-1,6-dioxaspiro[4.4]non-3-en-2-one?
The IUPAC name of 3-methyl-8,8-diphenyl-1,6-dioxaspiro[4.4]non-3-en-2-one (CID 172769184) is 3-methyl-8,8-diphenyl-1,6-dioxaspiro[4.4]non-3-en-2-one.
What is the SMILES notation for 3-methyl-8,8-diphenyl-1,6-dioxaspiro[4.4]non-3-en-2-one?
The canonical SMILES for 3-methyl-8,8-diphenyl-1,6-dioxaspiro[4.4]non-3-en-2-one is CC1=CC2(CC(c3ccccc3)(c3ccccc3)CO2)OC1=O.
What is the InChIKey of 3-methyl-8,8-diphenyl-1,6-dioxaspiro[4.4]non-3-en-2-one?
The InChIKey is MSJNYMYBSPBVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O3/c1-15-12-20(23-18(15)21)13-19(14-22-20,16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-12H,13-14H2,1H3.
What are the key properties of 3-methyl-8,8-diphenyl-1,6-dioxaspiro[4.4]non-3-en-2-one?
3-methyl-8,8-diphenyl-1,6-dioxaspiro[4.4]non-3-en-2-one has a molecular weight of 306.36 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-8,8-diphenyl-1,6-dioxaspiro[4.4]non-3-en-2-one is sourced from PubChem (CID 172769184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).