6,7-dipropyl-1,4-dioxaspiro[4.5]deca-6,8-diene-3,10-dione

C14H18O4 — CID 13158335

IUPAC6,7-dipropyl-1,4-dioxaspiro[4.5]deca-6,8-diene-3,10-dione
SMILESCCCC1=C(CCC)C2(OCC(=O)O2)C(=O)C=C1
InChIInChI=1S/C14H18O4/c1-3-5-10-7-8-12(15)14(11(10)6-4-2)17-9-13(16)18-14/h7-8H,3-6,9H2,1-2H3
InChIKeyKMSRBPAVVPRRJD-UHFFFAOYSA-N
MW250.29 g/mol
LogP2.29
Rot. Bonds4

About 6,7-dipropyl-1,4-dioxaspiro[4.5]deca-6,8-diene-3,10-dione

6,7-dipropyl-1,4-dioxaspiro[4.5]deca-6,8-diene-3,10-dione (PubChem CID 13158335) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is 6,7-dipropyl-1,4-dioxaspiro[4.5]deca-6,8-diene-3,10-dione.

Molecular Properties

Compound Name6,7-dipropyl-1,4-dioxaspiro[4.5]deca-6,8-diene-3,10-dione
PubChem CID13158335
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Name6,7-dipropyl-1,4-dioxaspiro[4.5]deca-6,8-diene-3,10-dione
SMILESCCCC1=C(CCC)C2(OCC(=O)O2)C(=O)C=C1
InChIInChI=1S/C14H18O4/c1-3-5-10-7-8-12(15)14(11(10)6-4-2)17-9-13(16)18-14/h7-8H,3-6,9H2,1-2H3
InChIKeyKMSRBPAVVPRRJD-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 6,7-dipropyl-1,4-dioxaspiro[4.5]deca-6,8-diene-3,10-dione?
The IUPAC name of 6,7-dipropyl-1,4-dioxaspiro[4.5]deca-6,8-diene-3,10-dione (CID 13158335) is 6,7-dipropyl-1,4-dioxaspiro[4.5]deca-6,8-diene-3,10-dione.
What is the SMILES notation for 6,7-dipropyl-1,4-dioxaspiro[4.5]deca-6,8-diene-3,10-dione?
The canonical SMILES for 6,7-dipropyl-1,4-dioxaspiro[4.5]deca-6,8-diene-3,10-dione is CCCC1=C(CCC)C2(OCC(=O)O2)C(=O)C=C1.
What is the InChIKey of 6,7-dipropyl-1,4-dioxaspiro[4.5]deca-6,8-diene-3,10-dione?
The InChIKey is KMSRBPAVVPRRJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O4/c1-3-5-10-7-8-12(15)14(11(10)6-4-2)17-9-13(16)18-14/h7-8H,3-6,9H2,1-2H3.
What are the key properties of 6,7-dipropyl-1,4-dioxaspiro[4.5]deca-6,8-diene-3,10-dione?
6,7-dipropyl-1,4-dioxaspiro[4.5]deca-6,8-diene-3,10-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 6,7-dipropyl-1,4-dioxaspiro[4.5]deca-6,8-diene-3,10-dione is sourced from PubChem (CID 13158335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).