1a,2,2-trimethyl-7bH-oxireno[2,3-c]chromene

C12H14O2 — CID 15106683

IUPAC1a,2,2-trimethyl-7bH-oxireno[2,3-c]chromene
SMILESCC1(C)Oc2ccccc2C2OC21C
InChIInChI=1S/C12H14O2/c1-11(2)12(3)10(14-12)8-6-4-5-7-9(8)13-11/h4-7,10H,1-3H3
InChIKeyDFOVDCJIOLPNEL-UHFFFAOYSA-N
MW190.24 g/mol
LogP2.69
Rot. Bonds

About 1a,2,2-trimethyl-7bH-oxireno[2,3-c]chromene

1a,2,2-trimethyl-7bH-oxireno[2,3-c]chromene (PubChem CID 15106683) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 1a,2,2-trimethyl-7bH-oxireno[2,3-c]chromene.

Molecular Properties

Compound Name1a,2,2-trimethyl-7bH-oxireno[2,3-c]chromene
PubChem CID15106683
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name1a,2,2-trimethyl-7bH-oxireno[2,3-c]chromene
SMILESCC1(C)Oc2ccccc2C2OC21C
InChIInChI=1S/C12H14O2/c1-11(2)12(3)10(14-12)8-6-4-5-7-9(8)13-11/h4-7,10H,1-3H3
InChIKeyDFOVDCJIOLPNEL-UHFFFAOYSA-N
XLogP2.69
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1a,2,2-trimethyl-7bH-oxireno[2,3-c]chromene?
The IUPAC name of 1a,2,2-trimethyl-7bH-oxireno[2,3-c]chromene (CID 15106683) is 1a,2,2-trimethyl-7bH-oxireno[2,3-c]chromene.
What is the SMILES notation for 1a,2,2-trimethyl-7bH-oxireno[2,3-c]chromene?
The canonical SMILES for 1a,2,2-trimethyl-7bH-oxireno[2,3-c]chromene is CC1(C)Oc2ccccc2C2OC21C.
What is the InChIKey of 1a,2,2-trimethyl-7bH-oxireno[2,3-c]chromene?
The InChIKey is DFOVDCJIOLPNEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c1-11(2)12(3)10(14-12)8-6-4-5-7-9(8)13-11/h4-7,10H,1-3H3.
What are the key properties of 1a,2,2-trimethyl-7bH-oxireno[2,3-c]chromene?
1a,2,2-trimethyl-7bH-oxireno[2,3-c]chromene has a molecular weight of 190.24 g/mol, XLogP of 2.69, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1a,2,2-trimethyl-7bH-oxireno[2,3-c]chromene is sourced from PubChem (CID 15106683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).