3,3-di(propan-2-yl)-4,4a,5,10b-tetrahydro-2H-pyrano[3,2-c]chromene

C18H26O2 — CID 154595139

IUPAC3,3-di(propan-2-yl)-4,4a,5,10b-tetrahydro-2H-pyrano[3,2-c]chromene
SMILESCC(C)C1(C(C)C)COC2c3ccccc3OCC2C1
InChIInChI=1S/C18H26O2/c1-12(2)18(13(3)4)9-14-10-19-16-8-6-5-7-15(16)17(14)20-11-18/h5-8,12-14,17H,9-11H2,1-4H3
InChIKeyYRRXBXDKXNCRKY-UHFFFAOYSA-N
MW274.40 g/mol
LogP4.45
Rot. Bonds2

About 3,3-di(propan-2-yl)-4,4a,5,10b-tetrahydro-2H-pyrano[3,2-c]chromene

3,3-di(propan-2-yl)-4,4a,5,10b-tetrahydro-2H-pyrano[3,2-c]chromene (PubChem CID 154595139) has the molecular formula C18H26O2 and a molecular weight of 274.40 g/mol. Its IUPAC name is 3,3-di(propan-2-yl)-4,4a,5,10b-tetrahydro-2H-pyrano[3,2-c]chromene.

Molecular Properties

Compound Name3,3-di(propan-2-yl)-4,4a,5,10b-tetrahydro-2H-pyrano[3,2-c]chromene
PubChem CID154595139
Molecular FormulaC18H26O2
Molecular Weight274.40 g/mol
Exact Mass274.19
IUPAC Name3,3-di(propan-2-yl)-4,4a,5,10b-tetrahydro-2H-pyrano[3,2-c]chromene
SMILESCC(C)C1(C(C)C)COC2c3ccccc3OCC2C1
InChIInChI=1S/C18H26O2/c1-12(2)18(13(3)4)9-14-10-19-16-8-6-5-7-15(16)17(14)20-11-18/h5-8,12-14,17H,9-11H2,1-4H3
InChIKeyYRRXBXDKXNCRKY-UHFFFAOYSA-N
XLogP4.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-di(propan-2-yl)-4,4a,5,10b-tetrahydro-2H-pyrano[3,2-c]chromene?
The IUPAC name of 3,3-di(propan-2-yl)-4,4a,5,10b-tetrahydro-2H-pyrano[3,2-c]chromene (CID 154595139) is 3,3-di(propan-2-yl)-4,4a,5,10b-tetrahydro-2H-pyrano[3,2-c]chromene.
What is the SMILES notation for 3,3-di(propan-2-yl)-4,4a,5,10b-tetrahydro-2H-pyrano[3,2-c]chromene?
The canonical SMILES for 3,3-di(propan-2-yl)-4,4a,5,10b-tetrahydro-2H-pyrano[3,2-c]chromene is CC(C)C1(C(C)C)COC2c3ccccc3OCC2C1.
What is the InChIKey of 3,3-di(propan-2-yl)-4,4a,5,10b-tetrahydro-2H-pyrano[3,2-c]chromene?
The InChIKey is YRRXBXDKXNCRKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O2/c1-12(2)18(13(3)4)9-14-10-19-16-8-6-5-7-15(16)17(14)20-11-18/h5-8,12-14,17H,9-11H2,1-4H3.
What are the key properties of 3,3-di(propan-2-yl)-4,4a,5,10b-tetrahydro-2H-pyrano[3,2-c]chromene?
3,3-di(propan-2-yl)-4,4a,5,10b-tetrahydro-2H-pyrano[3,2-c]chromene has a molecular weight of 274.40 g/mol, XLogP of 4.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-di(propan-2-yl)-4,4a,5,10b-tetrahydro-2H-pyrano[3,2-c]chromene is sourced from PubChem (CID 154595139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).