8,8a-dihydro-4H-chromene

C9H10O — CID 91065127

IUPAC8,8a-dihydro-4H-chromene
SMILESC1=CCC2OC=CCC2=C1
InChIInChI=1S/C9H10O/c1-2-6-9-8(4-1)5-3-7-10-9/h1-4,7,9H,5-6H2
InChIKeyQROULIDJTVCKHZ-UHFFFAOYSA-N
MW134.18 g/mol
LogP2.18
Rot. Bonds

About 8,8a-dihydro-4H-chromene

8,8a-dihydro-4H-chromene (PubChem CID 91065127) has the molecular formula C9H10O and a molecular weight of 134.18 g/mol. Its IUPAC name is 8,8a-dihydro-4H-chromene.

Molecular Properties

Compound Name8,8a-dihydro-4H-chromene
PubChem CID91065127
Molecular FormulaC9H10O
Molecular Weight134.18 g/mol
Exact Mass134.07
IUPAC Name8,8a-dihydro-4H-chromene
SMILESC1=CCC2OC=CCC2=C1
InChIInChI=1S/C9H10O/c1-2-6-9-8(4-1)5-3-7-10-9/h1-4,7,9H,5-6H2
InChIKeyQROULIDJTVCKHZ-UHFFFAOYSA-N
XLogP2.18
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 ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8,8a-dihydro-4H-chromene?
The IUPAC name of 8,8a-dihydro-4H-chromene (CID 91065127) is 8,8a-dihydro-4H-chromene.
What is the SMILES notation for 8,8a-dihydro-4H-chromene?
The canonical SMILES for 8,8a-dihydro-4H-chromene is C1=CCC2OC=CCC2=C1.
What is the InChIKey of 8,8a-dihydro-4H-chromene?
The InChIKey is QROULIDJTVCKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O/c1-2-6-9-8(4-1)5-3-7-10-9/h1-4,7,9H,5-6H2.
What are the key properties of 8,8a-dihydro-4H-chromene?
8,8a-dihydro-4H-chromene has a molecular weight of 134.18 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 8,8a-dihydro-4H-chromene is sourced from PubChem (CID 91065127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).