8,10-bis(prop-1-en-2-yl)-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene-2,4-dione

C18H14O3 — CID 175634405

IUPAC8,10-bis(prop-1-en-2-yl)-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene-2,4-dione
SMILESC=C(C)c1ccc2c3c(ccc(C(=C)C)c13)C(=O)OC2=O
InChIInChI=1S/C18H14O3/c1-9(2)11-5-7-13-16-14(18(20)21-17(13)19)8-6-12(10(3)4)15(11)16/h5-8H,1,3H2,2,4H3
InChIKeyYLGXIJPKSHTKLP-UHFFFAOYSA-N
MW278.31 g/mol
LogP4.22
Rot. Bonds2

About 8,10-bis(prop-1-en-2-yl)-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene-2,4-dione

8,10-bis(prop-1-en-2-yl)-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene-2,4-dione (PubChem CID 175634405) has the molecular formula C18H14O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is 8,10-bis(prop-1-en-2-yl)-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene-2,4-dione.

Molecular Properties

Compound Name8,10-bis(prop-1-en-2-yl)-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene-2,4-dione
PubChem CID175634405
Molecular FormulaC18H14O3
Molecular Weight278.31 g/mol
Exact Mass278.09
IUPAC Name8,10-bis(prop-1-en-2-yl)-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene-2,4-dione
SMILESC=C(C)c1ccc2c3c(ccc(C(=C)C)c13)C(=O)OC2=O
InChIInChI=1S/C18H14O3/c1-9(2)11-5-7-13-16-14(18(20)21-17(13)19)8-6-12(10(3)4)15(11)16/h5-8H,1,3H2,2,4H3
InChIKeyYLGXIJPKSHTKLP-UHFFFAOYSA-N
XLogP4.22
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8,10-bis(prop-1-en-2-yl)-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene-2,4-dione?
The IUPAC name of 8,10-bis(prop-1-en-2-yl)-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene-2,4-dione (CID 175634405) is 8,10-bis(prop-1-en-2-yl)-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene-2,4-dione.
What is the SMILES notation for 8,10-bis(prop-1-en-2-yl)-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene-2,4-dione?
The canonical SMILES for 8,10-bis(prop-1-en-2-yl)-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene-2,4-dione is C=C(C)c1ccc2c3c(ccc(C(=C)C)c13)C(=O)OC2=O.
What is the InChIKey of 8,10-bis(prop-1-en-2-yl)-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene-2,4-dione?
The InChIKey is YLGXIJPKSHTKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O3/c1-9(2)11-5-7-13-16-14(18(20)21-17(13)19)8-6-12(10(3)4)15(11)16/h5-8H,1,3H2,2,4H3.
What are the key properties of 8,10-bis(prop-1-en-2-yl)-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene-2,4-dione?
8,10-bis(prop-1-en-2-yl)-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene-2,4-dione has a molecular weight of 278.31 g/mol, XLogP of 4.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8,10-bis(prop-1-en-2-yl)-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene-2,4-dione is sourced from PubChem (CID 175634405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).