(2R,3aS,9bR)-4,4-dimethyl-2-(2-methylpropyl)-2,3,3a,9b-tetrahydrofuro[3,2-c]chromene

C17H24O2 — CID 7068804

IUPAC(2R,3aS,9bR)-4,4-dimethyl-2-(2-methylpropyl)-2,3,3a,9b-tetrahydrofuro[3,2-c]chromene
SMILESCC(C)C[C@@H]1C[C@H]2[C@@H](O1)c1ccccc1OC2(C)C
InChIInChI=1S/C17H24O2/c1-11(2)9-12-10-14-16(18-12)13-7-5-6-8-15(13)19-17(14,3)4/h5-8,11-12,14,16H,9-10H2,1-4H3/t12-,14+,16+/m1/s1
InChIKeySAYNSLVBCCNEBK-INWMFGNUSA-N
MW260.38 g/mol
LogP4.35
Rot. Bonds2

About (2R,3aS,9bR)-4,4-dimethyl-2-(2-methylpropyl)-2,3,3a,9b-tetrahydrofuro[3,2-c]chromene

(2R,3aS,9bR)-4,4-dimethyl-2-(2-methylpropyl)-2,3,3a,9b-tetrahydrofuro[3,2-c]chromene (PubChem CID 7068804) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is (2R,3aS,9bR)-4,4-dimethyl-2-(2-methylpropyl)-2,3,3a,9b-tetrahydrofuro[3,2-c]chromene.

Molecular Properties

Compound Name(2R,3aS,9bR)-4,4-dimethyl-2-(2-methylpropyl)-2,3,3a,9b-tetrahydrofuro[3,2-c]chromene
PubChem CID7068804
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name(2R,3aS,9bR)-4,4-dimethyl-2-(2-methylpropyl)-2,3,3a,9b-tetrahydrofuro[3,2-c]chromene
SMILESCC(C)C[C@@H]1C[C@H]2[C@@H](O1)c1ccccc1OC2(C)C
InChIInChI=1S/C17H24O2/c1-11(2)9-12-10-14-16(18-12)13-7-5-6-8-15(13)19-17(14,3)4/h5-8,11-12,14,16H,9-10H2,1-4H3/t12-,14+,16+/m1/s1
InChIKeySAYNSLVBCCNEBK-INWMFGNUSA-N
XLogP4.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,3aS,9bR)-4,4-dimethyl-2-(2-methylpropyl)-2,3,3a,9b-tetrahydrofuro[3,2-c]chromene?
The IUPAC name of (2R,3aS,9bR)-4,4-dimethyl-2-(2-methylpropyl)-2,3,3a,9b-tetrahydrofuro[3,2-c]chromene (CID 7068804) is (2R,3aS,9bR)-4,4-dimethyl-2-(2-methylpropyl)-2,3,3a,9b-tetrahydrofuro[3,2-c]chromene.
What is the SMILES notation for (2R,3aS,9bR)-4,4-dimethyl-2-(2-methylpropyl)-2,3,3a,9b-tetrahydrofuro[3,2-c]chromene?
The canonical SMILES for (2R,3aS,9bR)-4,4-dimethyl-2-(2-methylpropyl)-2,3,3a,9b-tetrahydrofuro[3,2-c]chromene is CC(C)C[C@@H]1C[C@H]2[C@@H](O1)c1ccccc1OC2(C)C.
What is the InChIKey of (2R,3aS,9bR)-4,4-dimethyl-2-(2-methylpropyl)-2,3,3a,9b-tetrahydrofuro[3,2-c]chromene?
The InChIKey is SAYNSLVBCCNEBK-INWMFGNUSA-N. The full InChI is InChI=1S/C17H24O2/c1-11(2)9-12-10-14-16(18-12)13-7-5-6-8-15(13)19-17(14,3)4/h5-8,11-12,14,16H,9-10H2,1-4H3/t12-,14+,16+/m1/s1.
What are the key properties of (2R,3aS,9bR)-4,4-dimethyl-2-(2-methylpropyl)-2,3,3a,9b-tetrahydrofuro[3,2-c]chromene?
(2R,3aS,9bR)-4,4-dimethyl-2-(2-methylpropyl)-2,3,3a,9b-tetrahydrofuro[3,2-c]chromene has a molecular weight of 260.38 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3aS,9bR)-4,4-dimethyl-2-(2-methylpropyl)-2,3,3a,9b-tetrahydrofuro[3,2-c]chromene is sourced from PubChem (CID 7068804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).