11,11-dimethyl-10,12-dioxatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,14-tetraene

C15H16O2 — CID 58427899

IUPAC11,11-dimethyl-10,12-dioxatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,14-tetraene
SMILESCC1(C)OC2C3C=CC(c4ccccc43)C2O1
InChIInChI=1S/C15H16O2/c1-15(2)16-13-11-7-8-12(14(13)17-15)10-6-4-3-5-9(10)11/h3-8,11-14H,1-2H3
InChIKeySDZQPPLMPGBFTJ-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.96
Rot. Bonds

About 11,11-dimethyl-10,12-dioxatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,14-tetraene

11,11-dimethyl-10,12-dioxatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,14-tetraene (PubChem CID 58427899) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is 11,11-dimethyl-10,12-dioxatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,14-tetraene.

Molecular Properties

Compound Name11,11-dimethyl-10,12-dioxatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,14-tetraene
PubChem CID58427899
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Name11,11-dimethyl-10,12-dioxatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,14-tetraene
SMILESCC1(C)OC2C3C=CC(c4ccccc43)C2O1
InChIInChI=1S/C15H16O2/c1-15(2)16-13-11-7-8-12(14(13)17-15)10-6-4-3-5-9(10)11/h3-8,11-14H,1-2H3
InChIKeySDZQPPLMPGBFTJ-UHFFFAOYSA-N
XLogP2.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.96
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 11,11-dimethyl-10,12-dioxatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,14-tetraene?
The IUPAC name of 11,11-dimethyl-10,12-dioxatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,14-tetraene (CID 58427899) is 11,11-dimethyl-10,12-dioxatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,14-tetraene.
What is the SMILES notation for 11,11-dimethyl-10,12-dioxatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,14-tetraene?
The canonical SMILES for 11,11-dimethyl-10,12-dioxatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,14-tetraene is CC1(C)OC2C3C=CC(c4ccccc43)C2O1.
What is the InChIKey of 11,11-dimethyl-10,12-dioxatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,14-tetraene?
The InChIKey is SDZQPPLMPGBFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2/c1-15(2)16-13-11-7-8-12(14(13)17-15)10-6-4-3-5-9(10)11/h3-8,11-14H,1-2H3.
What are the key properties of 11,11-dimethyl-10,12-dioxatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,14-tetraene?
11,11-dimethyl-10,12-dioxatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,14-tetraene has a molecular weight of 228.29 g/mol, XLogP of 2.96, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11,11-dimethyl-10,12-dioxatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,14-tetraene is sourced from PubChem (CID 58427899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).