7,10-dioxadispiro[4.0.46.55]pentadec-2-en-4-one

C13H18O3 — CID 10977027

IUPAC7,10-dioxadispiro[4.0.46.55]pentadec-2-en-4-one
SMILESO=C1C=CCC12CCCCCC21OCCO1
InChIInChI=1S/C13H18O3/c14-11-5-4-7-12(11)6-2-1-3-8-13(12)15-9-10-16-13/h4-5H,1-3,6-10H2
InChIKeyDRKFXSLIDQJWKV-UHFFFAOYSA-N
MW222.28 g/mol
LogP2.21
Rot. Bonds

About 7,10-dioxadispiro[4.0.46.55]pentadec-2-en-4-one

7,10-dioxadispiro[4.0.46.55]pentadec-2-en-4-one (PubChem CID 10977027) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is 7,10-dioxadispiro[4.0.46.55]pentadec-2-en-4-one.

Molecular Properties

Compound Name7,10-dioxadispiro[4.0.46.55]pentadec-2-en-4-one
PubChem CID10977027
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name7,10-dioxadispiro[4.0.46.55]pentadec-2-en-4-one
SMILESO=C1C=CCC12CCCCCC21OCCO1
InChIInChI=1S/C13H18O3/c14-11-5-4-7-12(11)6-2-1-3-8-13(12)15-9-10-16-13/h4-5H,1-3,6-10H2
InChIKeyDRKFXSLIDQJWKV-UHFFFAOYSA-N
XLogP2.21
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7,10-dioxadispiro[4.0.46.55]pentadec-2-en-4-one?
The IUPAC name of 7,10-dioxadispiro[4.0.46.55]pentadec-2-en-4-one (CID 10977027) is 7,10-dioxadispiro[4.0.46.55]pentadec-2-en-4-one.
What is the SMILES notation for 7,10-dioxadispiro[4.0.46.55]pentadec-2-en-4-one?
The canonical SMILES for 7,10-dioxadispiro[4.0.46.55]pentadec-2-en-4-one is O=C1C=CCC12CCCCCC21OCCO1.
What is the InChIKey of 7,10-dioxadispiro[4.0.46.55]pentadec-2-en-4-one?
The InChIKey is DRKFXSLIDQJWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c14-11-5-4-7-12(11)6-2-1-3-8-13(12)15-9-10-16-13/h4-5H,1-3,6-10H2.
What are the key properties of 7,10-dioxadispiro[4.0.46.55]pentadec-2-en-4-one?
7,10-dioxadispiro[4.0.46.55]pentadec-2-en-4-one has a molecular weight of 222.28 g/mol, XLogP of 2.21, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,10-dioxadispiro[4.0.46.55]pentadec-2-en-4-one is sourced from PubChem (CID 10977027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).