(1aR,7bS)-1a,7b-dihydronaphtho[1,2-b]oxirene

C10H8O — CID 11094749

IUPAC(1aR,7bS)-1a,7b-dihydronaphtho[1,2-b]oxirene
SMILESC1=C[C@H]2O[C@H]2c2ccccc21
InChIInChI=1S/C10H8O/c1-2-4-8-7(3-1)5-6-9-10(8)11-9/h1-6,9-10H/t9-,10+/m1/s1
InChIKeyXQIJIALOJPIKGX-ZJUUUORDSA-N
MW144.17 g/mol
LogP2.15
Rot. Bonds

About (1aR,7bS)-1a,7b-dihydronaphtho[1,2-b]oxirene

(1aR,7bS)-1a,7b-dihydronaphtho[1,2-b]oxirene (PubChem CID 11094749) has the molecular formula C10H8O and a molecular weight of 144.17 g/mol. Its IUPAC name is (1aR,7bS)-1a,7b-dihydronaphtho[1,2-b]oxirene.

Molecular Properties

Compound Name(1aR,7bS)-1a,7b-dihydronaphtho[1,2-b]oxirene
PubChem CID11094749
Molecular FormulaC10H8O
Molecular Weight144.17 g/mol
Exact Mass144.06
IUPAC Name(1aR,7bS)-1a,7b-dihydronaphtho[1,2-b]oxirene
SMILESC1=C[C@H]2O[C@H]2c2ccccc21
InChIInChI=1S/C10H8O/c1-2-4-8-7(3-1)5-6-9-10(8)11-9/h1-6,9-10H/t9-,10+/m1/s1
InChIKeyXQIJIALOJPIKGX-ZJUUUORDSA-N
XLogP2.15
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 52.15
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 (1aR,7bS)-1a,7b-dihydronaphtho[1,2-b]oxirene?
The IUPAC name of (1aR,7bS)-1a,7b-dihydronaphtho[1,2-b]oxirene (CID 11094749) is (1aR,7bS)-1a,7b-dihydronaphtho[1,2-b]oxirene.
What is the SMILES notation for (1aR,7bS)-1a,7b-dihydronaphtho[1,2-b]oxirene?
The canonical SMILES for (1aR,7bS)-1a,7b-dihydronaphtho[1,2-b]oxirene is C1=C[C@H]2O[C@H]2c2ccccc21.
What is the InChIKey of (1aR,7bS)-1a,7b-dihydronaphtho[1,2-b]oxirene?
The InChIKey is XQIJIALOJPIKGX-ZJUUUORDSA-N. The full InChI is InChI=1S/C10H8O/c1-2-4-8-7(3-1)5-6-9-10(8)11-9/h1-6,9-10H/t9-,10+/m1/s1.
What are the key properties of (1aR,7bS)-1a,7b-dihydronaphtho[1,2-b]oxirene?
(1aR,7bS)-1a,7b-dihydronaphtho[1,2-b]oxirene has a molecular weight of 144.17 g/mol, XLogP of 2.15, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1aR,7bS)-1a,7b-dihydronaphtho[1,2-b]oxirene is sourced from PubChem (CID 11094749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).