3,4,6,6-tetramethyl-2,5-dihydropyran

C9H16O — CID 163379865

IUPAC3,4,6,6-tetramethyl-2,5-dihydropyran
SMILESCC1=C(C)CC(C)(C)OC1
InChIInChI=1S/C9H16O/c1-7-5-9(3,4)10-6-8(7)2/h5-6H2,1-4H3
InChIKeyXHGZZTMJOUHJHE-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.52
Rot. Bonds

About 3,4,6,6-tetramethyl-2,5-dihydropyran

3,4,6,6-tetramethyl-2,5-dihydropyran (PubChem CID 163379865) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 3,4,6,6-tetramethyl-2,5-dihydropyran.

Molecular Properties

Compound Name3,4,6,6-tetramethyl-2,5-dihydropyran
PubChem CID163379865
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name3,4,6,6-tetramethyl-2,5-dihydropyran
SMILESCC1=C(C)CC(C)(C)OC1
InChIInChI=1S/C9H16O/c1-7-5-9(3,4)10-6-8(7)2/h5-6H2,1-4H3
InChIKeyXHGZZTMJOUHJHE-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 3,4,6,6-tetramethyl-2,5-dihydropyran?
The IUPAC name of 3,4,6,6-tetramethyl-2,5-dihydropyran (CID 163379865) is 3,4,6,6-tetramethyl-2,5-dihydropyran.
What is the SMILES notation for 3,4,6,6-tetramethyl-2,5-dihydropyran?
The canonical SMILES for 3,4,6,6-tetramethyl-2,5-dihydropyran is CC1=C(C)CC(C)(C)OC1.
What is the InChIKey of 3,4,6,6-tetramethyl-2,5-dihydropyran?
The InChIKey is XHGZZTMJOUHJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-7-5-9(3,4)10-6-8(7)2/h5-6H2,1-4H3.
What are the key properties of 3,4,6,6-tetramethyl-2,5-dihydropyran?
3,4,6,6-tetramethyl-2,5-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 3,4,6,6-tetramethyl-2,5-dihydropyran is sourced from PubChem (CID 163379865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).