(1aS,7bS)-6-benzyl-2,2-dimethyl-1a,7b-dihydrooxireno[2,3-c]chromene

C18H18O2 — CID 10825653

IUPAC(1aS,7bS)-6-benzyl-2,2-dimethyl-1a,7b-dihydrooxireno[2,3-c]chromene
SMILESCC1(C)Oc2ccc(Cc3ccccc3)cc2[C@@H]2O[C@@H]21
InChIInChI=1S/C18H18O2/c1-18(2)17-16(19-17)14-11-13(8-9-15(14)20-18)10-12-6-4-3-5-7-12/h3-9,11,16-17H,10H2,1-2H3/t16-,17-/m0/s1
InChIKeyNCOGTVZCMIGHKD-IRXDYDNUSA-N
MW266.34 g/mol
LogP3.89
Rot. Bonds2

About (1aS,7bS)-6-benzyl-2,2-dimethyl-1a,7b-dihydrooxireno[2,3-c]chromene

(1aS,7bS)-6-benzyl-2,2-dimethyl-1a,7b-dihydrooxireno[2,3-c]chromene (PubChem CID 10825653) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is (1aS,7bS)-6-benzyl-2,2-dimethyl-1a,7b-dihydrooxireno[2,3-c]chromene.

Molecular Properties

Compound Name(1aS,7bS)-6-benzyl-2,2-dimethyl-1a,7b-dihydrooxireno[2,3-c]chromene
PubChem CID10825653
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name(1aS,7bS)-6-benzyl-2,2-dimethyl-1a,7b-dihydrooxireno[2,3-c]chromene
SMILESCC1(C)Oc2ccc(Cc3ccccc3)cc2[C@@H]2O[C@@H]21
InChIInChI=1S/C18H18O2/c1-18(2)17-16(19-17)14-11-13(8-9-15(14)20-18)10-12-6-4-3-5-7-12/h3-9,11,16-17H,10H2,1-2H3/t16-,17-/m0/s1
InChIKeyNCOGTVZCMIGHKD-IRXDYDNUSA-N
XLogP3.89
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (1aS,7bS)-6-benzyl-2,2-dimethyl-1a,7b-dihydrooxireno[2,3-c]chromene?
The IUPAC name of (1aS,7bS)-6-benzyl-2,2-dimethyl-1a,7b-dihydrooxireno[2,3-c]chromene (CID 10825653) is (1aS,7bS)-6-benzyl-2,2-dimethyl-1a,7b-dihydrooxireno[2,3-c]chromene.
What is the SMILES notation for (1aS,7bS)-6-benzyl-2,2-dimethyl-1a,7b-dihydrooxireno[2,3-c]chromene?
The canonical SMILES for (1aS,7bS)-6-benzyl-2,2-dimethyl-1a,7b-dihydrooxireno[2,3-c]chromene is CC1(C)Oc2ccc(Cc3ccccc3)cc2[C@@H]2O[C@@H]21.
What is the InChIKey of (1aS,7bS)-6-benzyl-2,2-dimethyl-1a,7b-dihydrooxireno[2,3-c]chromene?
The InChIKey is NCOGTVZCMIGHKD-IRXDYDNUSA-N. The full InChI is InChI=1S/C18H18O2/c1-18(2)17-16(19-17)14-11-13(8-9-15(14)20-18)10-12-6-4-3-5-7-12/h3-9,11,16-17H,10H2,1-2H3/t16-,17-/m0/s1.
What are the key properties of (1aS,7bS)-6-benzyl-2,2-dimethyl-1a,7b-dihydrooxireno[2,3-c]chromene?
(1aS,7bS)-6-benzyl-2,2-dimethyl-1a,7b-dihydrooxireno[2,3-c]chromene has a molecular weight of 266.34 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1aS,7bS)-6-benzyl-2,2-dimethyl-1a,7b-dihydrooxireno[2,3-c]chromene is sourced from PubChem (CID 10825653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).