6,6a,7,7a-tetrahydronaphtho[2,3-b]oxirene

C10H10O — CID 6451405

IUPAC6,6a,7,7a-tetrahydronaphtho[2,3-b]oxirene
SMILESC1=CCC2CC3OC3=CC2=C1
InChIInChI=1S/C10H10O/c1-2-4-8-6-10-9(11-10)5-7(8)3-1/h1-3,5,8,10H,4,6H2
InChIKeyYFGONIAVNGIUBY-UHFFFAOYSA-N
MW146.19 g/mol
LogP2.18
Rot. Bonds

About 6,6a,7,7a-tetrahydronaphtho[2,3-b]oxirene

6,6a,7,7a-tetrahydronaphtho[2,3-b]oxirene (PubChem CID 6451405) has the molecular formula C10H10O and a molecular weight of 146.19 g/mol. Its IUPAC name is 6,6a,7,7a-tetrahydronaphtho[2,3-b]oxirene.

Molecular Properties

Compound Name6,6a,7,7a-tetrahydronaphtho[2,3-b]oxirene
PubChem CID6451405
Molecular FormulaC10H10O
Molecular Weight146.19 g/mol
Exact Mass146.07
IUPAC Name6,6a,7,7a-tetrahydronaphtho[2,3-b]oxirene
SMILESC1=CCC2CC3OC3=CC2=C1
InChIInChI=1S/C10H10O/c1-2-4-8-6-10-9(11-10)5-7(8)3-1/h1-3,5,8,10H,4,6H2
InChIKeyYFGONIAVNGIUBY-UHFFFAOYSA-N
XLogP2.18
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6,6a,7,7a-tetrahydronaphtho[2,3-b]oxirene?
The IUPAC name of 6,6a,7,7a-tetrahydronaphtho[2,3-b]oxirene (CID 6451405) is 6,6a,7,7a-tetrahydronaphtho[2,3-b]oxirene.
What is the SMILES notation for 6,6a,7,7a-tetrahydronaphtho[2,3-b]oxirene?
The canonical SMILES for 6,6a,7,7a-tetrahydronaphtho[2,3-b]oxirene is C1=CCC2CC3OC3=CC2=C1.
What is the InChIKey of 6,6a,7,7a-tetrahydronaphtho[2,3-b]oxirene?
The InChIKey is YFGONIAVNGIUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O/c1-2-4-8-6-10-9(11-10)5-7(8)3-1/h1-3,5,8,10H,4,6H2.
What are the key properties of 6,6a,7,7a-tetrahydronaphtho[2,3-b]oxirene?
6,6a,7,7a-tetrahydronaphtho[2,3-b]oxirene has a molecular weight of 146.19 g/mol, XLogP of 2.18, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6a,7,7a-tetrahydronaphtho[2,3-b]oxirene is sourced from PubChem (CID 6451405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).