(2S,6R)-2,4,5,6-tetramethyl-3,6-dihydro-2H-pyran

C9H16O — CID 174061828

IUPAC(2S,6R)-2,4,5,6-tetramethyl-3,6-dihydro-2H-pyran
SMILESCC1=C(C)[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C9H16O/c1-6-5-7(2)10-9(4)8(6)3/h7,9H,5H2,1-4H3/t7-,9+/m0/s1
InChIKeyWBLIVZVDENZKDC-IONNQARKSA-N
MW140.23 g/mol
LogP2.52
Rot. Bonds

About (2S,6R)-2,4,5,6-tetramethyl-3,6-dihydro-2H-pyran

(2S,6R)-2,4,5,6-tetramethyl-3,6-dihydro-2H-pyran (PubChem CID 174061828) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is (2S,6R)-2,4,5,6-tetramethyl-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name(2S,6R)-2,4,5,6-tetramethyl-3,6-dihydro-2H-pyran
PubChem CID174061828
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name(2S,6R)-2,4,5,6-tetramethyl-3,6-dihydro-2H-pyran
SMILESCC1=C(C)[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C9H16O/c1-6-5-7(2)10-9(4)8(6)3/h7,9H,5H2,1-4H3/t7-,9+/m0/s1
InChIKeyWBLIVZVDENZKDC-IONNQARKSA-N
XLogP2.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,6R)-2,4,5,6-tetramethyl-3,6-dihydro-2H-pyran?
The IUPAC name of (2S,6R)-2,4,5,6-tetramethyl-3,6-dihydro-2H-pyran (CID 174061828) is (2S,6R)-2,4,5,6-tetramethyl-3,6-dihydro-2H-pyran.
What is the SMILES notation for (2S,6R)-2,4,5,6-tetramethyl-3,6-dihydro-2H-pyran?
The canonical SMILES for (2S,6R)-2,4,5,6-tetramethyl-3,6-dihydro-2H-pyran is CC1=C(C)[C@@H](C)O[C@@H](C)C1.
What is the InChIKey of (2S,6R)-2,4,5,6-tetramethyl-3,6-dihydro-2H-pyran?
The InChIKey is WBLIVZVDENZKDC-IONNQARKSA-N. The full InChI is InChI=1S/C9H16O/c1-6-5-7(2)10-9(4)8(6)3/h7,9H,5H2,1-4H3/t7-,9+/m0/s1.
What are the key properties of (2S,6R)-2,4,5,6-tetramethyl-3,6-dihydro-2H-pyran?
(2S,6R)-2,4,5,6-tetramethyl-3,6-dihydro-2H-pyran has a molecular weight of 140.23 g/mol, XLogP of 2.52, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-2,4,5,6-tetramethyl-3,6-dihydro-2H-pyran is sourced from PubChem (CID 174061828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).