(2S,6R)-5,6-diethoxy-2-methyl-3,6-dihydro-2H-pyran

C10H18O3 — CID 44606204

IUPAC(2S,6R)-5,6-diethoxy-2-methyl-3,6-dihydro-2H-pyran
SMILESCCOC1=CC[C@H](C)O[C@H]1OCC
InChIInChI=1S/C10H18O3/c1-4-11-9-7-6-8(3)13-10(9)12-5-2/h7-8,10H,4-6H2,1-3H3/t8-,10+/m0/s1
InChIKeyGGKHCLOHSCUXTE-WCBMZHEXSA-N
MW186.25 g/mol
LogP2.08
Rot. Bonds4

About (2S,6R)-5,6-diethoxy-2-methyl-3,6-dihydro-2H-pyran

(2S,6R)-5,6-diethoxy-2-methyl-3,6-dihydro-2H-pyran (PubChem CID 44606204) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is (2S,6R)-5,6-diethoxy-2-methyl-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name(2S,6R)-5,6-diethoxy-2-methyl-3,6-dihydro-2H-pyran
PubChem CID44606204
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name(2S,6R)-5,6-diethoxy-2-methyl-3,6-dihydro-2H-pyran
SMILESCCOC1=CC[C@H](C)O[C@H]1OCC
InChIInChI=1S/C10H18O3/c1-4-11-9-7-6-8(3)13-10(9)12-5-2/h7-8,10H,4-6H2,1-3H3/t8-,10+/m0/s1
InChIKeyGGKHCLOHSCUXTE-WCBMZHEXSA-N
XLogP2.08
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,6R)-5,6-diethoxy-2-methyl-3,6-dihydro-2H-pyran?
The IUPAC name of (2S,6R)-5,6-diethoxy-2-methyl-3,6-dihydro-2H-pyran (CID 44606204) is (2S,6R)-5,6-diethoxy-2-methyl-3,6-dihydro-2H-pyran.
What is the SMILES notation for (2S,6R)-5,6-diethoxy-2-methyl-3,6-dihydro-2H-pyran?
The canonical SMILES for (2S,6R)-5,6-diethoxy-2-methyl-3,6-dihydro-2H-pyran is CCOC1=CC[C@H](C)O[C@H]1OCC.
What is the InChIKey of (2S,6R)-5,6-diethoxy-2-methyl-3,6-dihydro-2H-pyran?
The InChIKey is GGKHCLOHSCUXTE-WCBMZHEXSA-N. The full InChI is InChI=1S/C10H18O3/c1-4-11-9-7-6-8(3)13-10(9)12-5-2/h7-8,10H,4-6H2,1-3H3/t8-,10+/m0/s1.
What are the key properties of (2S,6R)-5,6-diethoxy-2-methyl-3,6-dihydro-2H-pyran?
(2S,6R)-5,6-diethoxy-2-methyl-3,6-dihydro-2H-pyran has a molecular weight of 186.25 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-5,6-diethoxy-2-methyl-3,6-dihydro-2H-pyran is sourced from PubChem (CID 44606204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).