11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodeca-2(7),4-diene

C10H10O2 — CID 20679317

IUPAC11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodeca-2(7),4-diene
SMILESC1=CC2OC1C1=C2C2CCC1O2
InChIInChI=1S/C10H10O2/c1-2-6-10-8-4-3-7(12-8)9(10)5(1)11-6/h1-2,5-8H,3-4H2
InChIKeyDTDNLTLKAJBVGZ-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.18
Rot. Bonds

About 11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodeca-2(7),4-diene

11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodeca-2(7),4-diene (PubChem CID 20679317) has the molecular formula C10H10O2 and a molecular weight of 162.19 g/mol. Its IUPAC name is 11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodeca-2(7),4-diene.

Molecular Properties

Compound Name11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodeca-2(7),4-diene
PubChem CID20679317
Molecular FormulaC10H10O2
Molecular Weight162.19 g/mol
Exact Mass162.07
IUPAC Name11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodeca-2(7),4-diene
SMILESC1=CC2OC1C1=C2C2CCC1O2
InChIInChI=1S/C10H10O2/c1-2-6-10-8-4-3-7(12-8)9(10)5(1)11-6/h1-2,5-8H,3-4H2
InChIKeyDTDNLTLKAJBVGZ-UHFFFAOYSA-N
XLogP1.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodeca-2(7),4-diene?
The IUPAC name of 11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodeca-2(7),4-diene (CID 20679317) is 11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodeca-2(7),4-diene.
What is the SMILES notation for 11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodeca-2(7),4-diene?
The canonical SMILES for 11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodeca-2(7),4-diene is C1=CC2OC1C1=C2C2CCC1O2.
What is the InChIKey of 11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodeca-2(7),4-diene?
The InChIKey is DTDNLTLKAJBVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2/c1-2-6-10-8-4-3-7(12-8)9(10)5(1)11-6/h1-2,5-8H,3-4H2.
What are the key properties of 11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodeca-2(7),4-diene?
11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodeca-2(7),4-diene has a molecular weight of 162.19 g/mol, XLogP of 1.18, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodeca-2(7),4-diene is sourced from PubChem (CID 20679317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).