15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,11-tetraene

C14H14O — CID 85344604

IUPAC15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,11-tetraene
SMILESC1=CCC2C3OC(c4ccccc43)C2C1
InChIInChI=1S/C14H14O/c1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14(10)15-13/h1-6,11-14H,7-8H2
InChIKeyANIDPBGBEOEKCW-UHFFFAOYSA-N
MW198.27 g/mol
LogP3.39
Rot. Bonds

About 15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,11-tetraene

15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,11-tetraene (PubChem CID 85344604) has the molecular formula C14H14O and a molecular weight of 198.27 g/mol. Its IUPAC name is 15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,11-tetraene.

Molecular Properties

Compound Name15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,11-tetraene
PubChem CID85344604
Molecular FormulaC14H14O
Molecular Weight198.27 g/mol
Exact Mass198.10
IUPAC Name15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,11-tetraene
SMILESC1=CCC2C3OC(c4ccccc43)C2C1
InChIInChI=1S/C14H14O/c1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14(10)15-13/h1-6,11-14H,7-8H2
InChIKeyANIDPBGBEOEKCW-UHFFFAOYSA-N
XLogP3.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,11-tetraene?
The IUPAC name of 15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,11-tetraene (CID 85344604) is 15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,11-tetraene.
What is the SMILES notation for 15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,11-tetraene?
The canonical SMILES for 15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,11-tetraene is C1=CCC2C3OC(c4ccccc43)C2C1.
What is the InChIKey of 15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,11-tetraene?
The InChIKey is ANIDPBGBEOEKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O/c1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14(10)15-13/h1-6,11-14H,7-8H2.
What are the key properties of 15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,11-tetraene?
15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,11-tetraene has a molecular weight of 198.27 g/mol, XLogP of 3.39, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,11-tetraene is sourced from PubChem (CID 85344604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).