2-[2-(3,4-dihydro-2H-pyran-2-yl)propan-2-yl]-3,4-dihydro-2H-pyran

C13H20O2 — CID 90229625

IUPAC2-[2-(3,4-dihydro-2H-pyran-2-yl)propan-2-yl]-3,4-dihydro-2H-pyran
SMILESCC(C)(C1CCC=CO1)C1CCC=CO1
InChIInChI=1S/C13H20O2/c1-13(2,11-7-3-5-9-14-11)12-8-4-6-10-15-12/h5-6,9-12H,3-4,7-8H2,1-2H3
InChIKeyQEGFIOTVIYXSOO-UHFFFAOYSA-N
MW208.30 g/mol
LogP3.40
Rot. Bonds2

About 2-[2-(3,4-dihydro-2H-pyran-2-yl)propan-2-yl]-3,4-dihydro-2H-pyran

2-[2-(3,4-dihydro-2H-pyran-2-yl)propan-2-yl]-3,4-dihydro-2H-pyran (PubChem CID 90229625) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 2-[2-(3,4-dihydro-2H-pyran-2-yl)propan-2-yl]-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name2-[2-(3,4-dihydro-2H-pyran-2-yl)propan-2-yl]-3,4-dihydro-2H-pyran
PubChem CID90229625
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name2-[2-(3,4-dihydro-2H-pyran-2-yl)propan-2-yl]-3,4-dihydro-2H-pyran
SMILESCC(C)(C1CCC=CO1)C1CCC=CO1
InChIInChI=1S/C13H20O2/c1-13(2,11-7-3-5-9-14-11)12-8-4-6-10-15-12/h5-6,9-12H,3-4,7-8H2,1-2H3
InChIKeyQEGFIOTVIYXSOO-UHFFFAOYSA-N
XLogP3.40
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dihydro-2H-pyran-2-yl)propan-2-yl]-3,4-dihydro-2H-pyran?
The IUPAC name of 2-[2-(3,4-dihydro-2H-pyran-2-yl)propan-2-yl]-3,4-dihydro-2H-pyran (CID 90229625) is 2-[2-(3,4-dihydro-2H-pyran-2-yl)propan-2-yl]-3,4-dihydro-2H-pyran.
What is the SMILES notation for 2-[2-(3,4-dihydro-2H-pyran-2-yl)propan-2-yl]-3,4-dihydro-2H-pyran?
The canonical SMILES for 2-[2-(3,4-dihydro-2H-pyran-2-yl)propan-2-yl]-3,4-dihydro-2H-pyran is CC(C)(C1CCC=CO1)C1CCC=CO1.
What is the InChIKey of 2-[2-(3,4-dihydro-2H-pyran-2-yl)propan-2-yl]-3,4-dihydro-2H-pyran?
The InChIKey is QEGFIOTVIYXSOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-13(2,11-7-3-5-9-14-11)12-8-4-6-10-15-12/h5-6,9-12H,3-4,7-8H2,1-2H3.
What are the key properties of 2-[2-(3,4-dihydro-2H-pyran-2-yl)propan-2-yl]-3,4-dihydro-2H-pyran?
2-[2-(3,4-dihydro-2H-pyran-2-yl)propan-2-yl]-3,4-dihydro-2H-pyran has a molecular weight of 208.30 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dihydro-2H-pyran-2-yl)propan-2-yl]-3,4-dihydro-2H-pyran is sourced from PubChem (CID 90229625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).