(2R,3S,4S)-2-ethyl-3,4,6-trimethyl-3,4-dihydro-2H-pyran

C10H18O — CID 122492127

IUPAC(2R,3S,4S)-2-ethyl-3,4,6-trimethyl-3,4-dihydro-2H-pyran
SMILESCC[C@H]1OC(C)=C[C@@H](C)[C@@H]1C
InChIInChI=1S/C10H18O/c1-5-10-9(4)7(2)6-8(3)11-10/h6-7,9-10H,5H2,1-4H3/t7-,9+,10-/m1/s1
InChIKeyVZIWMEHJMMCGNS-FKTZTGRPSA-N
MW154.25 g/mol
LogP2.97
Rot. Bonds1

About (2R,3S,4S)-2-ethyl-3,4,6-trimethyl-3,4-dihydro-2H-pyran

(2R,3S,4S)-2-ethyl-3,4,6-trimethyl-3,4-dihydro-2H-pyran (PubChem CID 122492127) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is (2R,3S,4S)-2-ethyl-3,4,6-trimethyl-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name(2R,3S,4S)-2-ethyl-3,4,6-trimethyl-3,4-dihydro-2H-pyran
PubChem CID122492127
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name(2R,3S,4S)-2-ethyl-3,4,6-trimethyl-3,4-dihydro-2H-pyran
SMILESCC[C@H]1OC(C)=C[C@@H](C)[C@@H]1C
InChIInChI=1S/C10H18O/c1-5-10-9(4)7(2)6-8(3)11-10/h6-7,9-10H,5H2,1-4H3/t7-,9+,10-/m1/s1
InChIKeyVZIWMEHJMMCGNS-FKTZTGRPSA-N
XLogP2.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S)-2-ethyl-3,4,6-trimethyl-3,4-dihydro-2H-pyran?
The IUPAC name of (2R,3S,4S)-2-ethyl-3,4,6-trimethyl-3,4-dihydro-2H-pyran (CID 122492127) is (2R,3S,4S)-2-ethyl-3,4,6-trimethyl-3,4-dihydro-2H-pyran.
What is the SMILES notation for (2R,3S,4S)-2-ethyl-3,4,6-trimethyl-3,4-dihydro-2H-pyran?
The canonical SMILES for (2R,3S,4S)-2-ethyl-3,4,6-trimethyl-3,4-dihydro-2H-pyran is CC[C@H]1OC(C)=C[C@@H](C)[C@@H]1C.
What is the InChIKey of (2R,3S,4S)-2-ethyl-3,4,6-trimethyl-3,4-dihydro-2H-pyran?
The InChIKey is VZIWMEHJMMCGNS-FKTZTGRPSA-N. The full InChI is InChI=1S/C10H18O/c1-5-10-9(4)7(2)6-8(3)11-10/h6-7,9-10H,5H2,1-4H3/t7-,9+,10-/m1/s1.
What are the key properties of (2R,3S,4S)-2-ethyl-3,4,6-trimethyl-3,4-dihydro-2H-pyran?
(2R,3S,4S)-2-ethyl-3,4,6-trimethyl-3,4-dihydro-2H-pyran has a molecular weight of 154.25 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S)-2-ethyl-3,4,6-trimethyl-3,4-dihydro-2H-pyran is sourced from PubChem (CID 122492127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).