15-oxatetracyclo[6.6.1.01,10.02,7]pentadeca-2,4,6-triene

C14H16O — CID 74037255

IUPAC15-oxatetracyclo[6.6.1.01,10.02,7]pentadeca-2,4,6-triene
SMILESc1ccc2c(c1)C1CC3CCCCC23O1
InChIInChI=1S/C14H16O/c1-2-7-12-11(6-1)13-9-10-5-3-4-8-14(10,12)15-13/h1-2,6-7,10,13H,3-5,8-9H2
InChIKeyTYLNPPOJLWYXMA-UHFFFAOYSA-N
MW200.28 g/mol
LogP3.55
Rot. Bonds

About 15-oxatetracyclo[6.6.1.01,10.02,7]pentadeca-2,4,6-triene

15-oxatetracyclo[6.6.1.01,10.02,7]pentadeca-2,4,6-triene (PubChem CID 74037255) has the molecular formula C14H16O and a molecular weight of 200.28 g/mol. Its IUPAC name is 15-oxatetracyclo[6.6.1.01,10.02,7]pentadeca-2,4,6-triene.

Molecular Properties

Compound Name15-oxatetracyclo[6.6.1.01,10.02,7]pentadeca-2,4,6-triene
PubChem CID74037255
Molecular FormulaC14H16O
Molecular Weight200.28 g/mol
Exact Mass200.12
IUPAC Name15-oxatetracyclo[6.6.1.01,10.02,7]pentadeca-2,4,6-triene
SMILESc1ccc2c(c1)C1CC3CCCCC23O1
InChIInChI=1S/C14H16O/c1-2-7-12-11(6-1)13-9-10-5-3-4-8-14(10,12)15-13/h1-2,6-7,10,13H,3-5,8-9H2
InChIKeyTYLNPPOJLWYXMA-UHFFFAOYSA-N
XLogP3.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 15-oxatetracyclo[6.6.1.01,10.02,7]pentadeca-2,4,6-triene?
The IUPAC name of 15-oxatetracyclo[6.6.1.01,10.02,7]pentadeca-2,4,6-triene (CID 74037255) is 15-oxatetracyclo[6.6.1.01,10.02,7]pentadeca-2,4,6-triene.
What is the SMILES notation for 15-oxatetracyclo[6.6.1.01,10.02,7]pentadeca-2,4,6-triene?
The canonical SMILES for 15-oxatetracyclo[6.6.1.01,10.02,7]pentadeca-2,4,6-triene is c1ccc2c(c1)C1CC3CCCCC23O1.
What is the InChIKey of 15-oxatetracyclo[6.6.1.01,10.02,7]pentadeca-2,4,6-triene?
The InChIKey is TYLNPPOJLWYXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O/c1-2-7-12-11(6-1)13-9-10-5-3-4-8-14(10,12)15-13/h1-2,6-7,10,13H,3-5,8-9H2.
What are the key properties of 15-oxatetracyclo[6.6.1.01,10.02,7]pentadeca-2,4,6-triene?
15-oxatetracyclo[6.6.1.01,10.02,7]pentadeca-2,4,6-triene has a molecular weight of 200.28 g/mol, XLogP of 3.55, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 15-oxatetracyclo[6.6.1.01,10.02,7]pentadeca-2,4,6-triene is sourced from PubChem (CID 74037255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).