2-(3,4-dihydro-2H-pyran-2-ylmethyl)-3,4-dihydro-2H-pyran

C11H16O2 — CID 19430037

IUPAC2-(3,4-dihydro-2H-pyran-2-ylmethyl)-3,4-dihydro-2H-pyran
SMILESC1=COC(CC2CCC=CO2)CC1
InChIInChI=1S/C11H16O2/c1-3-7-12-10(5-1)9-11-6-2-4-8-13-11/h3-4,7-8,10-11H,1-2,5-6,9H2
InChIKeyKFVSYOOEIFCQHU-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.76
Rot. Bonds2

About 2-(3,4-dihydro-2H-pyran-2-ylmethyl)-3,4-dihydro-2H-pyran

2-(3,4-dihydro-2H-pyran-2-ylmethyl)-3,4-dihydro-2H-pyran (PubChem CID 19430037) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-pyran-2-ylmethyl)-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-pyran-2-ylmethyl)-3,4-dihydro-2H-pyran
PubChem CID19430037
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name2-(3,4-dihydro-2H-pyran-2-ylmethyl)-3,4-dihydro-2H-pyran
SMILESC1=COC(CC2CCC=CO2)CC1
InChIInChI=1S/C11H16O2/c1-3-7-12-10(5-1)9-11-6-2-4-8-13-11/h3-4,7-8,10-11H,1-2,5-6,9H2
InChIKeyKFVSYOOEIFCQHU-UHFFFAOYSA-N
XLogP2.76
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-pyran-2-ylmethyl)-3,4-dihydro-2H-pyran?
The IUPAC name of 2-(3,4-dihydro-2H-pyran-2-ylmethyl)-3,4-dihydro-2H-pyran (CID 19430037) is 2-(3,4-dihydro-2H-pyran-2-ylmethyl)-3,4-dihydro-2H-pyran.
What is the SMILES notation for 2-(3,4-dihydro-2H-pyran-2-ylmethyl)-3,4-dihydro-2H-pyran?
The canonical SMILES for 2-(3,4-dihydro-2H-pyran-2-ylmethyl)-3,4-dihydro-2H-pyran is C1=COC(CC2CCC=CO2)CC1.
What is the InChIKey of 2-(3,4-dihydro-2H-pyran-2-ylmethyl)-3,4-dihydro-2H-pyran?
The InChIKey is KFVSYOOEIFCQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-3-7-12-10(5-1)9-11-6-2-4-8-13-11/h3-4,7-8,10-11H,1-2,5-6,9H2.
What are the key properties of 2-(3,4-dihydro-2H-pyran-2-ylmethyl)-3,4-dihydro-2H-pyran?
2-(3,4-dihydro-2H-pyran-2-ylmethyl)-3,4-dihydro-2H-pyran has a molecular weight of 180.25 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-pyran-2-ylmethyl)-3,4-dihydro-2H-pyran is sourced from PubChem (CID 19430037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).