(1Z)-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,9,11,13,15-heptaene

C15H12O — CID 54156978

IUPAC(1Z)-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,9,11,13,15-heptaene
SMILESC1=COC2C=CC=C/C2=c2\ccccc2=C1
InChIInChI=1S/C15H12O/c1-2-8-13-12(6-1)7-5-11-16-15-10-4-3-9-14(13)15/h1-11,15H/b11-5?,12-7?,14-13-
InChIKeyOLTPJLPPIGBYEL-HAWWNEFRSA-N
MW208.26 g/mol
LogP1.66
Rot. Bonds

About (1Z)-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,9,11,13,15-heptaene

(1Z)-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,9,11,13,15-heptaene (PubChem CID 54156978) has the molecular formula C15H12O and a molecular weight of 208.26 g/mol. Its IUPAC name is (1Z)-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,9,11,13,15-heptaene.

Molecular Properties

Compound Name(1Z)-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,9,11,13,15-heptaene
PubChem CID54156978
Molecular FormulaC15H12O
Molecular Weight208.26 g/mol
Exact Mass208.09
IUPAC Name(1Z)-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,9,11,13,15-heptaene
SMILESC1=COC2C=CC=C/C2=c2\ccccc2=C1
InChIInChI=1S/C15H12O/c1-2-8-13-12(6-1)7-5-11-16-15-10-4-3-9-14(13)15/h1-11,15H/b11-5?,12-7?,14-13-
InChIKeyOLTPJLPPIGBYEL-HAWWNEFRSA-N
XLogP1.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1Z)-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,9,11,13,15-heptaene?
The IUPAC name of (1Z)-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,9,11,13,15-heptaene (CID 54156978) is (1Z)-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,9,11,13,15-heptaene.
What is the SMILES notation for (1Z)-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,9,11,13,15-heptaene?
The canonical SMILES for (1Z)-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,9,11,13,15-heptaene is C1=COC2C=CC=C/C2=c2\ccccc2=C1.
What is the InChIKey of (1Z)-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,9,11,13,15-heptaene?
The InChIKey is OLTPJLPPIGBYEL-HAWWNEFRSA-N. The full InChI is InChI=1S/C15H12O/c1-2-8-13-12(6-1)7-5-11-16-15-10-4-3-9-14(13)15/h1-11,15H/b11-5?,12-7?,14-13-.
What are the key properties of (1Z)-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,9,11,13,15-heptaene?
(1Z)-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,9,11,13,15-heptaene has a molecular weight of 208.26 g/mol, XLogP of 1.66, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,9,11,13,15-heptaene is sourced from PubChem (CID 54156978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).