1,4-dioxadispiro[4.1.57.25]tetradeca-8,11-dien-10-one

C12H14O3 — CID 559892

IUPAC1,4-dioxadispiro[4.1.57.25]tetradeca-8,11-dien-10-one
SMILESO=C1C=CC2(C=C1)CCC1(C2)OCCO1
InChIInChI=1S/C12H14O3/c13-10-1-3-11(4-2-10)5-6-12(9-11)14-7-8-15-12/h1-4H,5-9H2
InChIKeyOOQRSLUTCQPDBY-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.59
Rot. Bonds

About 1,4-dioxadispiro[4.1.57.25]tetradeca-8,11-dien-10-one

1,4-dioxadispiro[4.1.57.25]tetradeca-8,11-dien-10-one (PubChem CID 559892) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is 1,4-dioxadispiro[4.1.57.25]tetradeca-8,11-dien-10-one.

Molecular Properties

Compound Name1,4-dioxadispiro[4.1.57.25]tetradeca-8,11-dien-10-one
PubChem CID559892
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name1,4-dioxadispiro[4.1.57.25]tetradeca-8,11-dien-10-one
SMILESO=C1C=CC2(C=C1)CCC1(C2)OCCO1
InChIInChI=1S/C12H14O3/c13-10-1-3-11(4-2-10)5-6-12(9-11)14-7-8-15-12/h1-4H,5-9H2
InChIKeyOOQRSLUTCQPDBY-UHFFFAOYSA-N
XLogP1.59
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(2-Methyl-1,3-dioxolan-2-yl)ethyl]-4-prop-2-enylcyclohexa-2,5-dien-1-one
CID 139249586
(E)-6-[2-(2-methylbutan-2-yl)-1,3-dioxolan-2-yl]hex-3-en-2-one
CID 144179765
4-(1,3-Dioxolan-2-ylmethyl)-4-prop-2-enylcyclohexa-2,5-dien-1-one
CID 102160511

Frequently Asked Questions

What is the IUPAC name of 1,4-dioxadispiro[4.1.57.25]tetradeca-8,11-dien-10-one?
The IUPAC name of 1,4-dioxadispiro[4.1.57.25]tetradeca-8,11-dien-10-one (CID 559892) is 1,4-dioxadispiro[4.1.57.25]tetradeca-8,11-dien-10-one.
What is the SMILES notation for 1,4-dioxadispiro[4.1.57.25]tetradeca-8,11-dien-10-one?
The canonical SMILES for 1,4-dioxadispiro[4.1.57.25]tetradeca-8,11-dien-10-one is O=C1C=CC2(C=C1)CCC1(C2)OCCO1.
What is the InChIKey of 1,4-dioxadispiro[4.1.57.25]tetradeca-8,11-dien-10-one?
The InChIKey is OOQRSLUTCQPDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c13-10-1-3-11(4-2-10)5-6-12(9-11)14-7-8-15-12/h1-4H,5-9H2.
What are the key properties of 1,4-dioxadispiro[4.1.57.25]tetradeca-8,11-dien-10-one?
1,4-dioxadispiro[4.1.57.25]tetradeca-8,11-dien-10-one has a molecular weight of 206.24 g/mol, XLogP of 1.59, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxadispiro[4.1.57.25]tetradeca-8,11-dien-10-one is sourced from PubChem (CID 559892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).