(2S,3S)-2,6-diethyl-3,5-dimethyl-3,4-dihydro-2H-pyran

C11H20O — CID 91701224

IUPAC(2S,3S)-2,6-diethyl-3,5-dimethyl-3,4-dihydro-2H-pyran
SMILESCCC1=C(C)C[C@H](C)[C@H](CC)O1
InChIInChI=1S/C11H20O/c1-5-10-8(3)7-9(4)11(6-2)12-10/h8,10H,5-7H2,1-4H3/t8-,10-/m0/s1
InChIKeyDCFJGGUMNKFZSD-WPRPVWTQSA-N
MW168.28 g/mol
LogP3.51
Rot. Bonds2

About (2S,3S)-2,6-diethyl-3,5-dimethyl-3,4-dihydro-2H-pyran

(2S,3S)-2,6-diethyl-3,5-dimethyl-3,4-dihydro-2H-pyran (PubChem CID 91701224) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is (2S,3S)-2,6-diethyl-3,5-dimethyl-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name(2S,3S)-2,6-diethyl-3,5-dimethyl-3,4-dihydro-2H-pyran
PubChem CID91701224
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name(2S,3S)-2,6-diethyl-3,5-dimethyl-3,4-dihydro-2H-pyran
SMILESCCC1=C(C)C[C@H](C)[C@H](CC)O1
InChIInChI=1S/C11H20O/c1-5-10-8(3)7-9(4)11(6-2)12-10/h8,10H,5-7H2,1-4H3/t8-,10-/m0/s1
InChIKeyDCFJGGUMNKFZSD-WPRPVWTQSA-N
XLogP3.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (2S,3S)-2,6-diethyl-3,5-dimethyl-3,4-dihydro-2H-pyran with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2,6-diethyl-3,5-dimethyl-3,4-dihydro-2H-pyran?
The IUPAC name of (2S,3S)-2,6-diethyl-3,5-dimethyl-3,4-dihydro-2H-pyran (CID 91701224) is (2S,3S)-2,6-diethyl-3,5-dimethyl-3,4-dihydro-2H-pyran.
What is the SMILES notation for (2S,3S)-2,6-diethyl-3,5-dimethyl-3,4-dihydro-2H-pyran?
The canonical SMILES for (2S,3S)-2,6-diethyl-3,5-dimethyl-3,4-dihydro-2H-pyran is CCC1=C(C)C[C@H](C)[C@H](CC)O1.
What is the InChIKey of (2S,3S)-2,6-diethyl-3,5-dimethyl-3,4-dihydro-2H-pyran?
The InChIKey is DCFJGGUMNKFZSD-WPRPVWTQSA-N. The full InChI is InChI=1S/C11H20O/c1-5-10-8(3)7-9(4)11(6-2)12-10/h8,10H,5-7H2,1-4H3/t8-,10-/m0/s1.
What are the key properties of (2S,3S)-2,6-diethyl-3,5-dimethyl-3,4-dihydro-2H-pyran?
(2S,3S)-2,6-diethyl-3,5-dimethyl-3,4-dihydro-2H-pyran has a molecular weight of 168.28 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2,6-diethyl-3,5-dimethyl-3,4-dihydro-2H-pyran is sourced from PubChem (CID 91701224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).