1,4-bis(prop-1-en-2-yl)-3,8-dioxatricyclo[5.1.0.02,4]oct-5-ene

C12H14O2 — CID 87096424

IUPAC1,4-bis(prop-1-en-2-yl)-3,8-dioxatricyclo[5.1.0.02,4]oct-5-ene
SMILESC=C(C)C12C=CC3OC3(C(=C)C)C1O2
InChIInChI=1S/C12H14O2/c1-7(2)11-6-5-9-12(13-9,8(3)4)10(11)14-11/h5-6,9-10H,1,3H2,2,4H3
InChIKeyMLYUCJVSLKGMMX-UHFFFAOYSA-N
MW190.24 g/mol
LogP1.98
Rot. Bonds2

About 1,4-bis(prop-1-en-2-yl)-3,8-dioxatricyclo[5.1.0.02,4]oct-5-ene

1,4-bis(prop-1-en-2-yl)-3,8-dioxatricyclo[5.1.0.02,4]oct-5-ene (PubChem CID 87096424) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 1,4-bis(prop-1-en-2-yl)-3,8-dioxatricyclo[5.1.0.02,4]oct-5-ene.

Molecular Properties

Compound Name1,4-bis(prop-1-en-2-yl)-3,8-dioxatricyclo[5.1.0.02,4]oct-5-ene
PubChem CID87096424
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name1,4-bis(prop-1-en-2-yl)-3,8-dioxatricyclo[5.1.0.02,4]oct-5-ene
SMILESC=C(C)C12C=CC3OC3(C(=C)C)C1O2
InChIInChI=1S/C12H14O2/c1-7(2)11-6-5-9-12(13-9,8(3)4)10(11)14-11/h5-6,9-10H,1,3H2,2,4H3
InChIKeyMLYUCJVSLKGMMX-UHFFFAOYSA-N
XLogP1.98
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,4-bis(prop-1-en-2-yl)-3,8-dioxatricyclo[5.1.0.02,4]oct-5-ene?
The IUPAC name of 1,4-bis(prop-1-en-2-yl)-3,8-dioxatricyclo[5.1.0.02,4]oct-5-ene (CID 87096424) is 1,4-bis(prop-1-en-2-yl)-3,8-dioxatricyclo[5.1.0.02,4]oct-5-ene.
What is the SMILES notation for 1,4-bis(prop-1-en-2-yl)-3,8-dioxatricyclo[5.1.0.02,4]oct-5-ene?
The canonical SMILES for 1,4-bis(prop-1-en-2-yl)-3,8-dioxatricyclo[5.1.0.02,4]oct-5-ene is C=C(C)C12C=CC3OC3(C(=C)C)C1O2.
What is the InChIKey of 1,4-bis(prop-1-en-2-yl)-3,8-dioxatricyclo[5.1.0.02,4]oct-5-ene?
The InChIKey is MLYUCJVSLKGMMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c1-7(2)11-6-5-9-12(13-9,8(3)4)10(11)14-11/h5-6,9-10H,1,3H2,2,4H3.
What are the key properties of 1,4-bis(prop-1-en-2-yl)-3,8-dioxatricyclo[5.1.0.02,4]oct-5-ene?
1,4-bis(prop-1-en-2-yl)-3,8-dioxatricyclo[5.1.0.02,4]oct-5-ene has a molecular weight of 190.24 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(prop-1-en-2-yl)-3,8-dioxatricyclo[5.1.0.02,4]oct-5-ene is sourced from PubChem (CID 87096424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).