7,10-dipropyl-1,4-dioxaspiro[4.5]deca-7,9-diene-3,6-dione

C14H18O4 — CID 15024727

IUPAC7,10-dipropyl-1,4-dioxaspiro[4.5]deca-7,9-diene-3,6-dione
SMILESCCCC1=CC=C(CCC)C2(OCC(=O)O2)C1=O
InChIInChI=1S/C14H18O4/c1-3-5-10-7-8-11(6-4-2)14(13(10)16)17-9-12(15)18-14/h7-8H,3-6,9H2,1-2H3
InChIKeyQTOMVGIOLGHKRF-UHFFFAOYSA-N
MW250.29 g/mol
LogP2.29
Rot. Bonds4

About 7,10-dipropyl-1,4-dioxaspiro[4.5]deca-7,9-diene-3,6-dione

7,10-dipropyl-1,4-dioxaspiro[4.5]deca-7,9-diene-3,6-dione (PubChem CID 15024727) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is 7,10-dipropyl-1,4-dioxaspiro[4.5]deca-7,9-diene-3,6-dione.

Molecular Properties

Compound Name7,10-dipropyl-1,4-dioxaspiro[4.5]deca-7,9-diene-3,6-dione
PubChem CID15024727
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Name7,10-dipropyl-1,4-dioxaspiro[4.5]deca-7,9-diene-3,6-dione
SMILESCCCC1=CC=C(CCC)C2(OCC(=O)O2)C1=O
InChIInChI=1S/C14H18O4/c1-3-5-10-7-8-11(6-4-2)14(13(10)16)17-9-12(15)18-14/h7-8H,3-6,9H2,1-2H3
InChIKeyQTOMVGIOLGHKRF-UHFFFAOYSA-N
XLogP2.29
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7,10-dipropyl-1,4-dioxaspiro[4.5]deca-7,9-diene-3,6-dione?
The IUPAC name of 7,10-dipropyl-1,4-dioxaspiro[4.5]deca-7,9-diene-3,6-dione (CID 15024727) is 7,10-dipropyl-1,4-dioxaspiro[4.5]deca-7,9-diene-3,6-dione.
What is the SMILES notation for 7,10-dipropyl-1,4-dioxaspiro[4.5]deca-7,9-diene-3,6-dione?
The canonical SMILES for 7,10-dipropyl-1,4-dioxaspiro[4.5]deca-7,9-diene-3,6-dione is CCCC1=CC=C(CCC)C2(OCC(=O)O2)C1=O.
What is the InChIKey of 7,10-dipropyl-1,4-dioxaspiro[4.5]deca-7,9-diene-3,6-dione?
The InChIKey is QTOMVGIOLGHKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O4/c1-3-5-10-7-8-11(6-4-2)14(13(10)16)17-9-12(15)18-14/h7-8H,3-6,9H2,1-2H3.
What are the key properties of 7,10-dipropyl-1,4-dioxaspiro[4.5]deca-7,9-diene-3,6-dione?
7,10-dipropyl-1,4-dioxaspiro[4.5]deca-7,9-diene-3,6-dione has a molecular weight of 250.29 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,10-dipropyl-1,4-dioxaspiro[4.5]deca-7,9-diene-3,6-dione is sourced from PubChem (CID 15024727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).