8,8a-dihydro-1H-isochromene

C9H10O — CID 91100396

IUPAC8,8a-dihydro-1H-isochromene
SMILESC1=CCC2COC=CC2=C1
InChIInChI=1S/C9H10O/c1-2-4-9-7-10-6-5-8(9)3-1/h1-3,5-6,9H,4,7H2
InChIKeyUFKYLWUEVBBVCL-UHFFFAOYSA-N
MW134.18 g/mol
LogP2.03
Rot. Bonds

About 8,8a-dihydro-1H-isochromene

8,8a-dihydro-1H-isochromene (PubChem CID 91100396) has the molecular formula C9H10O and a molecular weight of 134.18 g/mol. Its IUPAC name is 8,8a-dihydro-1H-isochromene.

Molecular Properties

Compound Name8,8a-dihydro-1H-isochromene
PubChem CID91100396
Molecular FormulaC9H10O
Molecular Weight134.18 g/mol
Exact Mass134.07
IUPAC Name8,8a-dihydro-1H-isochromene
SMILESC1=CCC2COC=CC2=C1
InChIInChI=1S/C9H10O/c1-2-4-9-7-10-6-5-8(9)3-1/h1-3,5-6,9H,4,7H2
InChIKeyUFKYLWUEVBBVCL-UHFFFAOYSA-N
XLogP2.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8,8a-dihydro-1H-isochromene?
The IUPAC name of 8,8a-dihydro-1H-isochromene (CID 91100396) is 8,8a-dihydro-1H-isochromene.
What is the SMILES notation for 8,8a-dihydro-1H-isochromene?
The canonical SMILES for 8,8a-dihydro-1H-isochromene is C1=CCC2COC=CC2=C1.
What is the InChIKey of 8,8a-dihydro-1H-isochromene?
The InChIKey is UFKYLWUEVBBVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O/c1-2-4-9-7-10-6-5-8(9)3-1/h1-3,5-6,9H,4,7H2.
What are the key properties of 8,8a-dihydro-1H-isochromene?
8,8a-dihydro-1H-isochromene has a molecular weight of 134.18 g/mol, XLogP of 2.03, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8a-dihydro-1H-isochromene is sourced from PubChem (CID 91100396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).