1a,7b-bis(ethenyl)naphtho[1,2-b]oxirene

C14H12O — CID 88537663

IUPAC1a,7b-bis(ethenyl)naphtho[1,2-b]oxirene
SMILESC=CC12C=Cc3ccccc3C1(C=C)O2
InChIInChI=1S/C14H12O/c1-3-13-10-9-11-7-5-6-8-12(11)14(13,4-2)15-13/h3-10H,1-2H2
InChIKeyJRTUFZNDXYETBC-UHFFFAOYSA-N
MW196.25 g/mol
LogP3.05
Rot. Bonds2

About 1a,7b-bis(ethenyl)naphtho[1,2-b]oxirene

1a,7b-bis(ethenyl)naphtho[1,2-b]oxirene (PubChem CID 88537663) has the molecular formula C14H12O and a molecular weight of 196.25 g/mol. Its IUPAC name is 1a,7b-bis(ethenyl)naphtho[1,2-b]oxirene.

Molecular Properties

Compound Name1a,7b-bis(ethenyl)naphtho[1,2-b]oxirene
PubChem CID88537663
Molecular FormulaC14H12O
Molecular Weight196.25 g/mol
Exact Mass196.09
IUPAC Name1a,7b-bis(ethenyl)naphtho[1,2-b]oxirene
SMILESC=CC12C=Cc3ccccc3C1(C=C)O2
InChIInChI=1S/C14H12O/c1-3-13-10-9-11-7-5-6-8-12(11)14(13,4-2)15-13/h3-10H,1-2H2
InChIKeyJRTUFZNDXYETBC-UHFFFAOYSA-N
XLogP3.05
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1a,7b-bis(ethenyl)naphtho[1,2-b]oxirene?
The IUPAC name of 1a,7b-bis(ethenyl)naphtho[1,2-b]oxirene (CID 88537663) is 1a,7b-bis(ethenyl)naphtho[1,2-b]oxirene.
What is the SMILES notation for 1a,7b-bis(ethenyl)naphtho[1,2-b]oxirene?
The canonical SMILES for 1a,7b-bis(ethenyl)naphtho[1,2-b]oxirene is C=CC12C=Cc3ccccc3C1(C=C)O2.
What is the InChIKey of 1a,7b-bis(ethenyl)naphtho[1,2-b]oxirene?
The InChIKey is JRTUFZNDXYETBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O/c1-3-13-10-9-11-7-5-6-8-12(11)14(13,4-2)15-13/h3-10H,1-2H2.
What are the key properties of 1a,7b-bis(ethenyl)naphtho[1,2-b]oxirene?
1a,7b-bis(ethenyl)naphtho[1,2-b]oxirene has a molecular weight of 196.25 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1a,7b-bis(ethenyl)naphtho[1,2-b]oxirene is sourced from PubChem (CID 88537663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).