(2Z,5Z)-4-oxabicyclo[5.4.1]dodeca-1(11),2,5,7,9-pentaene

C11H10O — CID 23270194

IUPAC(2Z,5Z)-4-oxabicyclo[5.4.1]dodeca-1(11),2,5,7,9-pentaene
SMILESC1=CC=C2/C=C\O/C=C\C(=C1)C2
InChIInChI=1S/C11H10O/c1-2-4-11-6-8-12-7-5-10(3-1)9-11/h1-8H,9H2/b7-5-,8-6-
InChIKeyKJZCOAVQCWRKPZ-SFECMWDFSA-N
MW158.20 g/mol
LogP2.86
Rot. Bonds

About (2Z,5Z)-4-oxabicyclo[5.4.1]dodeca-1(11),2,5,7,9-pentaene

(2Z,5Z)-4-oxabicyclo[5.4.1]dodeca-1(11),2,5,7,9-pentaene (PubChem CID 23270194) has the molecular formula C11H10O and a molecular weight of 158.20 g/mol. Its IUPAC name is (2Z,5Z)-4-oxabicyclo[5.4.1]dodeca-1(11),2,5,7,9-pentaene.

Molecular Properties

Compound Name(2Z,5Z)-4-oxabicyclo[5.4.1]dodeca-1(11),2,5,7,9-pentaene
PubChem CID23270194
Molecular FormulaC11H10O
Molecular Weight158.20 g/mol
Exact Mass158.07
IUPAC Name(2Z,5Z)-4-oxabicyclo[5.4.1]dodeca-1(11),2,5,7,9-pentaene
SMILESC1=CC=C2/C=C\O/C=C\C(=C1)C2
InChIInChI=1S/C11H10O/c1-2-4-11-6-8-12-7-5-10(3-1)9-11/h1-8H,9H2/b7-5-,8-6-
InChIKeyKJZCOAVQCWRKPZ-SFECMWDFSA-N
XLogP2.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Dibenz[c,e]oxepin
CID 606620
1,3,5-Cycloheptatriene, 7-(methoxymethylene)-
CID 639399
(1E)-1-methoxy-7-methyl-3-methylideneocta-1,6-diene
CID 15517012
2-Benzoxepine
CID 20256803
4-Cyclohepta-2,4,6-trien-1-ylidenepyran
CID 12370075
(1E,3E)-1-methoxy-4,8-dimethylnona-1,3,7-triene
CID 13215975
10-Oxabicyclo[6.3.2]trideca-1(11),8,12-triene
CID 13788564
1-[(E)-2-methoxyethenyl]cyclohexene
CID 14290320
Dihydrodibenz-[c,e]-oxepin
CID 129657451
5-Methylidene-4-pentan-3-ylidene-2,3-dihydrooxepine
CID 134980605
4-Methylidene-5-pentan-3-ylidene-2,3-dihydrooxepine
CID 134995222
Azane;2-benzoxepine
CID 20256802

Frequently Asked Questions

What is the IUPAC name of (2Z,5Z)-4-oxabicyclo[5.4.1]dodeca-1(11),2,5,7,9-pentaene?
The IUPAC name of (2Z,5Z)-4-oxabicyclo[5.4.1]dodeca-1(11),2,5,7,9-pentaene (CID 23270194) is (2Z,5Z)-4-oxabicyclo[5.4.1]dodeca-1(11),2,5,7,9-pentaene.
What is the SMILES notation for (2Z,5Z)-4-oxabicyclo[5.4.1]dodeca-1(11),2,5,7,9-pentaene?
The canonical SMILES for (2Z,5Z)-4-oxabicyclo[5.4.1]dodeca-1(11),2,5,7,9-pentaene is C1=CC=C2/C=C\O/C=C\C(=C1)C2.
What is the InChIKey of (2Z,5Z)-4-oxabicyclo[5.4.1]dodeca-1(11),2,5,7,9-pentaene?
The InChIKey is KJZCOAVQCWRKPZ-SFECMWDFSA-N. The full InChI is InChI=1S/C11H10O/c1-2-4-11-6-8-12-7-5-10(3-1)9-11/h1-8H,9H2/b7-5-,8-6-.
What are the key properties of (2Z,5Z)-4-oxabicyclo[5.4.1]dodeca-1(11),2,5,7,9-pentaene?
(2Z,5Z)-4-oxabicyclo[5.4.1]dodeca-1(11),2,5,7,9-pentaene has a molecular weight of 158.20 g/mol, XLogP of 2.86, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5Z)-4-oxabicyclo[5.4.1]dodeca-1(11),2,5,7,9-pentaene is sourced from PubChem (CID 23270194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).