2,3-dimethyl-4-(2-methylprop-1-enyl)-3,3a,4,9b-tetrahydro-2H-furo[3,2-c]chromene

C17H22O2 — CID 3396940

IUPAC2,3-dimethyl-4-(2-methylprop-1-enyl)-3,3a,4,9b-tetrahydro-2H-furo[3,2-c]chromene
SMILESCC(C)=CC1Oc2ccccc2C2OC(C)C(C)C12
InChIInChI=1S/C17H22O2/c1-10(2)9-15-16-11(3)12(4)18-17(16)13-7-5-6-8-14(13)19-15/h5-9,11-12,15-17H,1-4H3
InChIKeyAMUXLNCGHIVWHK-UHFFFAOYSA-N
MW258.36 g/mol
LogP4.13
Rot. Bonds1

About 2,3-dimethyl-4-(2-methylprop-1-enyl)-3,3a,4,9b-tetrahydro-2H-furo[3,2-c]chromene

2,3-dimethyl-4-(2-methylprop-1-enyl)-3,3a,4,9b-tetrahydro-2H-furo[3,2-c]chromene (PubChem CID 3396940) has the molecular formula C17H22O2 and a molecular weight of 258.36 g/mol. Its IUPAC name is 2,3-dimethyl-4-(2-methylprop-1-enyl)-3,3a,4,9b-tetrahydro-2H-furo[3,2-c]chromene.

Molecular Properties

Compound Name2,3-dimethyl-4-(2-methylprop-1-enyl)-3,3a,4,9b-tetrahydro-2H-furo[3,2-c]chromene
PubChem CID3396940
Molecular FormulaC17H22O2
Molecular Weight258.36 g/mol
Exact Mass258.16
IUPAC Name2,3-dimethyl-4-(2-methylprop-1-enyl)-3,3a,4,9b-tetrahydro-2H-furo[3,2-c]chromene
SMILESCC(C)=CC1Oc2ccccc2C2OC(C)C(C)C12
InChIInChI=1S/C17H22O2/c1-10(2)9-15-16-11(3)12(4)18-17(16)13-7-5-6-8-14(13)19-15/h5-9,11-12,15-17H,1-4H3
InChIKeyAMUXLNCGHIVWHK-UHFFFAOYSA-N
XLogP4.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-4-(2-methylprop-1-enyl)-3,3a,4,9b-tetrahydro-2H-furo[3,2-c]chromene?
The IUPAC name of 2,3-dimethyl-4-(2-methylprop-1-enyl)-3,3a,4,9b-tetrahydro-2H-furo[3,2-c]chromene (CID 3396940) is 2,3-dimethyl-4-(2-methylprop-1-enyl)-3,3a,4,9b-tetrahydro-2H-furo[3,2-c]chromene.
What is the SMILES notation for 2,3-dimethyl-4-(2-methylprop-1-enyl)-3,3a,4,9b-tetrahydro-2H-furo[3,2-c]chromene?
The canonical SMILES for 2,3-dimethyl-4-(2-methylprop-1-enyl)-3,3a,4,9b-tetrahydro-2H-furo[3,2-c]chromene is CC(C)=CC1Oc2ccccc2C2OC(C)C(C)C12.
What is the InChIKey of 2,3-dimethyl-4-(2-methylprop-1-enyl)-3,3a,4,9b-tetrahydro-2H-furo[3,2-c]chromene?
The InChIKey is AMUXLNCGHIVWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O2/c1-10(2)9-15-16-11(3)12(4)18-17(16)13-7-5-6-8-14(13)19-15/h5-9,11-12,15-17H,1-4H3.
What are the key properties of 2,3-dimethyl-4-(2-methylprop-1-enyl)-3,3a,4,9b-tetrahydro-2H-furo[3,2-c]chromene?
2,3-dimethyl-4-(2-methylprop-1-enyl)-3,3a,4,9b-tetrahydro-2H-furo[3,2-c]chromene has a molecular weight of 258.36 g/mol, XLogP of 4.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-4-(2-methylprop-1-enyl)-3,3a,4,9b-tetrahydro-2H-furo[3,2-c]chromene is sourced from PubChem (CID 3396940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).