2-(7-bicyclo[2.2.1]hepta-2,5-dienyloxy)oxane

C12H16O2 — CID 131843933

IUPAC2-(7-bicyclo[2.2.1]hepta-2,5-dienyloxy)oxane
SMILESC1=CC2C=CC1C2OC1CCCCO1
InChIInChI=1S/C12H16O2/c1-2-8-13-11(3-1)14-12-9-4-5-10(12)7-6-9/h4-7,9-12H,1-3,8H2
InChIKeyUYQZASQTXQNXEB-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.27
Rot. Bonds2

About 2-(7-bicyclo[2.2.1]hepta-2,5-dienyloxy)oxane

2-(7-bicyclo[2.2.1]hepta-2,5-dienyloxy)oxane (PubChem CID 131843933) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-(7-bicyclo[2.2.1]hepta-2,5-dienyloxy)oxane.

Molecular Properties

Compound Name2-(7-bicyclo[2.2.1]hepta-2,5-dienyloxy)oxane
PubChem CID131843933
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name2-(7-bicyclo[2.2.1]hepta-2,5-dienyloxy)oxane
SMILESC1=CC2C=CC1C2OC1CCCCO1
InChIInChI=1S/C12H16O2/c1-2-8-13-11(3-1)14-12-9-4-5-10(12)7-6-9/h4-7,9-12H,1-3,8H2
InChIKeyUYQZASQTXQNXEB-UHFFFAOYSA-N
XLogP2.27
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-cycloheptyloxyoxane
CID 11735764
(1R)-4-(oxan-2-yloxy)cyclopent-2-en-1-ol
CID 67582967
(1S,4S)-4-(oxan-2-yloxy)cyclopent-2-en-1-ol
CID 10986966
2-(oxetan-3-yloxy)oxane
CID 54083112
2-(oxan-2-yloxy)cyclopentan-1-ol
CID 86732994
trans-(1R,2R)-2-[(2S)-oxan-2-yl]oxycyclopropan-1-amine
CID 124784404
cis-(1S,2R)-2-[(2S)-oxan-2-yl]oxycyclopropan-1-amine
CID 86316698
3-(oxan-2-yloxy)cyclobutan-1-ol
CID 155584587
2-[(1S,2S)-2-methylcyclohexyl]oxyoxane
CID 10104198
5-chloro-4-(oxan-2-yloxy)cyclopent-2-en-1-one
CID 139632825
2-methoxyoxepane
CID 24974084
(2S)-2-[[(1S,6S)-8-tricyclo[4.3.1.01,6]dec-3-enyl]oxy]oxane
CID 98518565

Frequently Asked Questions

What is the IUPAC name of 2-(7-bicyclo[2.2.1]hepta-2,5-dienyloxy)oxane?
The IUPAC name of 2-(7-bicyclo[2.2.1]hepta-2,5-dienyloxy)oxane (CID 131843933) is 2-(7-bicyclo[2.2.1]hepta-2,5-dienyloxy)oxane.
What is the SMILES notation for 2-(7-bicyclo[2.2.1]hepta-2,5-dienyloxy)oxane?
The canonical SMILES for 2-(7-bicyclo[2.2.1]hepta-2,5-dienyloxy)oxane is C1=CC2C=CC1C2OC1CCCCO1.
What is the InChIKey of 2-(7-bicyclo[2.2.1]hepta-2,5-dienyloxy)oxane?
The InChIKey is UYQZASQTXQNXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-2-8-13-11(3-1)14-12-9-4-5-10(12)7-6-9/h4-7,9-12H,1-3,8H2.
What are the key properties of 2-(7-bicyclo[2.2.1]hepta-2,5-dienyloxy)oxane?
2-(7-bicyclo[2.2.1]hepta-2,5-dienyloxy)oxane has a molecular weight of 192.26 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-bicyclo[2.2.1]hepta-2,5-dienyloxy)oxane is sourced from PubChem (CID 131843933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).