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

C17H22O2 — CID 100881558

IUPAC(2R,3S,3aS,4S,9bS)-2,3-dimethyl-4-(2-methylprop-1-enyl)-3,3a,4,9b-tetrahydro-2H-furo[3,2-c]chromene
SMILESCC(C)=C[C@@H]1Oc2ccccc2[C@H]2O[C@H](C)[C@@H](C)[C@@H]12
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/t11-,12-,15+,16+,17-/m1/s1
InChIKeyAMUXLNCGHIVWHK-LQPBRMSDSA-N
MW258.36 g/mol
LogP4.13
Rot. Bonds1

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

(2R,3S,3aS,4S,9bS)-2,3-dimethyl-4-(2-methylprop-1-enyl)-3,3a,4,9b-tetrahydro-2H-furo[3,2-c]chromene (PubChem CID 100881558) has the molecular formula C17H22O2 and a molecular weight of 258.36 g/mol. Its IUPAC name is (2R,3S,3aS,4S,9bS)-2,3-dimethyl-4-(2-methylprop-1-enyl)-3,3a,4,9b-tetrahydro-2H-furo[3,2-c]chromene.

Molecular Properties

Compound Name(2R,3S,3aS,4S,9bS)-2,3-dimethyl-4-(2-methylprop-1-enyl)-3,3a,4,9b-tetrahydro-2H-furo[3,2-c]chromene
PubChem CID100881558
Molecular FormulaC17H22O2
Molecular Weight258.36 g/mol
Exact Mass258.16
IUPAC Name(2R,3S,3aS,4S,9bS)-2,3-dimethyl-4-(2-methylprop-1-enyl)-3,3a,4,9b-tetrahydro-2H-furo[3,2-c]chromene
SMILESCC(C)=C[C@@H]1Oc2ccccc2[C@H]2O[C@H](C)[C@@H](C)[C@@H]12
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/t11-,12-,15+,16+,17-/m1/s1
InChIKeyAMUXLNCGHIVWHK-LQPBRMSDSA-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'}

Analyze (2R,3S,3aS,4S,9bS)-2,3-dimethyl-4-(2-methylprop-1-enyl)-3,3a,4,9b-tetrahydro-2H-furo[3,2-c]chromene with MolForge

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Related Compounds

2,3-dimethyl-4-(2-methylprop-1-enyl)-3,3a,4,9b-tetrahydro-2H-furo[3,2-c]chromene
CID 3396940
(3R,4S)-3,4-dimethyl-3,4-dihydro-2H-chromen-2-ol
CID 164679988
(2R,3S)-2-(2-methylprop-1-enyl)-3-phenyloxirane
CID 135545500
(1S,9R,16S)-8,17-dioxatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaen-16-ol
CID 139180489
(3S,4R)-3-methyl-4-(nitromethyl)-3,4-dihydro-2H-chromen-2-ol
CID 53359511
N-cyclopropyl-2-methyl-2,3-dihydro-1-benzofuran-3-amine
CID 112714860
(1R,3R)-2-methyl-2,3-dihydro-1H-indene-1,3-diol
CID 10535021
1-methyl-2a,7b-dihydro-1H-cyclobuta[b][1]benzofuran-2-one
CID 11194617
2-[(2R,4R,5S,6S)-2,5,6-trimethyl-1,3-dioxan-4-yl]phenol
CID 98170311
(2S,3R)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-3-ol
CID 134958179
5-methyl-3,5-dihydro-2H-1-benzoxepin-4-one
CID 84655541
3-hydroxy-3,4-dihydro-2H-chromene-4-carbaldehyde
CID 174658679

Frequently Asked Questions

What is the IUPAC name of (2R,3S,3aS,4S,9bS)-2,3-dimethyl-4-(2-methylprop-1-enyl)-3,3a,4,9b-tetrahydro-2H-furo[3,2-c]chromene?
The IUPAC name of (2R,3S,3aS,4S,9bS)-2,3-dimethyl-4-(2-methylprop-1-enyl)-3,3a,4,9b-tetrahydro-2H-furo[3,2-c]chromene (CID 100881558) is (2R,3S,3aS,4S,9bS)-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 (2R,3S,3aS,4S,9bS)-2,3-dimethyl-4-(2-methylprop-1-enyl)-3,3a,4,9b-tetrahydro-2H-furo[3,2-c]chromene?
The canonical SMILES for (2R,3S,3aS,4S,9bS)-2,3-dimethyl-4-(2-methylprop-1-enyl)-3,3a,4,9b-tetrahydro-2H-furo[3,2-c]chromene is CC(C)=C[C@@H]1Oc2ccccc2[C@H]2O[C@H](C)[C@@H](C)[C@@H]12.
What is the InChIKey of (2R,3S,3aS,4S,9bS)-2,3-dimethyl-4-(2-methylprop-1-enyl)-3,3a,4,9b-tetrahydro-2H-furo[3,2-c]chromene?
The InChIKey is AMUXLNCGHIVWHK-LQPBRMSDSA-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/t11-,12-,15+,16+,17-/m1/s1.
What are the key properties of (2R,3S,3aS,4S,9bS)-2,3-dimethyl-4-(2-methylprop-1-enyl)-3,3a,4,9b-tetrahydro-2H-furo[3,2-c]chromene?
(2R,3S,3aS,4S,9bS)-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 (2R,3S,3aS,4S,9bS)-2,3-dimethyl-4-(2-methylprop-1-enyl)-3,3a,4,9b-tetrahydro-2H-furo[3,2-c]chromene is sourced from PubChem (CID 100881558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).