(2R,4aS,10bS)-8-tert-butyl-5,5-dimethyl-2-phenyl-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]chromene

C24H30O2 — CID 110146070

IUPAC(2R,4aS,10bS)-8-tert-butyl-5,5-dimethyl-2-phenyl-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]chromene
SMILESCC(C)(C)c1ccc2c(c1)OC(C)(C)[C@H]1CC[C@H](c3ccccc3)O[C@H]21
InChIInChI=1S/C24H30O2/c1-23(2,3)17-11-12-18-21(15-17)26-24(4,5)19-13-14-20(25-22(18)19)16-9-7-6-8-10-16/h6-12,15,19-20,22H,13-14H2,1-5H3/t19-,20+,22+/m0/s1
InChIKeyQTAZHVOWOUGIME-TUNNFDKTSA-N
MW350.50 g/mol
LogP6.36
Rot. Bonds1

About (2R,4aS,10bS)-8-tert-butyl-5,5-dimethyl-2-phenyl-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]chromene

(2R,4aS,10bS)-8-tert-butyl-5,5-dimethyl-2-phenyl-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]chromene (PubChem CID 110146070) has the molecular formula C24H30O2 and a molecular weight of 350.50 g/mol. Its IUPAC name is (2R,4aS,10bS)-8-tert-butyl-5,5-dimethyl-2-phenyl-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]chromene.

Molecular Properties

Compound Name(2R,4aS,10bS)-8-tert-butyl-5,5-dimethyl-2-phenyl-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]chromene
PubChem CID110146070
Molecular FormulaC24H30O2
Molecular Weight350.50 g/mol
Exact Mass350.22
IUPAC Name(2R,4aS,10bS)-8-tert-butyl-5,5-dimethyl-2-phenyl-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]chromene
SMILESCC(C)(C)c1ccc2c(c1)OC(C)(C)[C@H]1CC[C@H](c3ccccc3)O[C@H]21
InChIInChI=1S/C24H30O2/c1-23(2,3)17-11-12-18-21(15-17)26-24(4,5)19-13-14-20(25-22(18)19)16-9-7-6-8-10-16/h6-12,15,19-20,22H,13-14H2,1-5H3/t19-,20+,22+/m0/s1
InChIKeyQTAZHVOWOUGIME-TUNNFDKTSA-N
XLogP6.36
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.50
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,4aS,10bS)-8-tert-butyl-5,5-dimethyl-2-phenyl-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]chromene?
The IUPAC name of (2R,4aS,10bS)-8-tert-butyl-5,5-dimethyl-2-phenyl-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]chromene (CID 110146070) is (2R,4aS,10bS)-8-tert-butyl-5,5-dimethyl-2-phenyl-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]chromene.
What is the SMILES notation for (2R,4aS,10bS)-8-tert-butyl-5,5-dimethyl-2-phenyl-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]chromene?
The canonical SMILES for (2R,4aS,10bS)-8-tert-butyl-5,5-dimethyl-2-phenyl-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]chromene is CC(C)(C)c1ccc2c(c1)OC(C)(C)[C@H]1CC[C@H](c3ccccc3)O[C@H]21.
What is the InChIKey of (2R,4aS,10bS)-8-tert-butyl-5,5-dimethyl-2-phenyl-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]chromene?
The InChIKey is QTAZHVOWOUGIME-TUNNFDKTSA-N. The full InChI is InChI=1S/C24H30O2/c1-23(2,3)17-11-12-18-21(15-17)26-24(4,5)19-13-14-20(25-22(18)19)16-9-7-6-8-10-16/h6-12,15,19-20,22H,13-14H2,1-5H3/t19-,20+,22+/m0/s1.
What are the key properties of (2R,4aS,10bS)-8-tert-butyl-5,5-dimethyl-2-phenyl-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]chromene?
(2R,4aS,10bS)-8-tert-butyl-5,5-dimethyl-2-phenyl-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]chromene has a molecular weight of 350.50 g/mol, XLogP of 6.36, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4aS,10bS)-8-tert-butyl-5,5-dimethyl-2-phenyl-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]chromene is sourced from PubChem (CID 110146070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).