2,4,6,6-tetramethyl-2,3-dihydropyran

C9H16O — CID 20634300

IUPAC2,4,6,6-tetramethyl-2,3-dihydropyran
SMILESCC1=CC(C)(C)OC(C)C1
InChIInChI=1S/C9H16O/c1-7-5-8(2)10-9(3,4)6-7/h6,8H,5H2,1-4H3
InChIKeyBELAWOWSFOSZMC-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.52
Rot. Bonds

About 2,4,6,6-tetramethyl-2,3-dihydropyran

2,4,6,6-tetramethyl-2,3-dihydropyran (PubChem CID 20634300) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 2,4,6,6-tetramethyl-2,3-dihydropyran.

Molecular Properties

Compound Name2,4,6,6-tetramethyl-2,3-dihydropyran
PubChem CID20634300
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name2,4,6,6-tetramethyl-2,3-dihydropyran
SMILESCC1=CC(C)(C)OC(C)C1
InChIInChI=1S/C9H16O/c1-7-5-8(2)10-9(3,4)6-7/h6,8H,5H2,1-4H3
InChIKeyBELAWOWSFOSZMC-UHFFFAOYSA-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 2,4,6,6-tetramethyl-2,3-dihydropyran?
The IUPAC name of 2,4,6,6-tetramethyl-2,3-dihydropyran (CID 20634300) is 2,4,6,6-tetramethyl-2,3-dihydropyran.
What is the SMILES notation for 2,4,6,6-tetramethyl-2,3-dihydropyran?
The canonical SMILES for 2,4,6,6-tetramethyl-2,3-dihydropyran is CC1=CC(C)(C)OC(C)C1.
What is the InChIKey of 2,4,6,6-tetramethyl-2,3-dihydropyran?
The InChIKey is BELAWOWSFOSZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-7-5-8(2)10-9(3,4)6-7/h6,8H,5H2,1-4H3.
What are the key properties of 2,4,6,6-tetramethyl-2,3-dihydropyran?
2,4,6,6-tetramethyl-2,3-dihydropyran 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 2,4,6,6-tetramethyl-2,3-dihydropyran is sourced from PubChem (CID 20634300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).