6,6-dimethyl-2,3-dihydropyran

C7H12O — CID 12507028

IUPAC6,6-dimethyl-2,3-dihydropyran
SMILESCC1(C)C=CCCO1
InChIInChI=1S/C7H12O/c1-7(2)5-3-4-6-8-7/h3,5H,4,6H2,1-2H3
InChIKeyVWSJYTBPEUEFJZ-UHFFFAOYSA-N
MW112.17 g/mol
LogP1.74
Rot. Bonds

About 6,6-dimethyl-2,3-dihydropyran

6,6-dimethyl-2,3-dihydropyran (PubChem CID 12507028) has the molecular formula C7H12O and a molecular weight of 112.17 g/mol. Its IUPAC name is 6,6-dimethyl-2,3-dihydropyran.

Molecular Properties

Compound Name6,6-dimethyl-2,3-dihydropyran
PubChem CID12507028
Molecular FormulaC7H12O
Molecular Weight112.17 g/mol
Exact Mass112.09
IUPAC Name6,6-dimethyl-2,3-dihydropyran
SMILESCC1(C)C=CCCO1
InChIInChI=1S/C7H12O/c1-7(2)5-3-4-6-8-7/h3,5H,4,6H2,1-2H3
InChIKeyVWSJYTBPEUEFJZ-UHFFFAOYSA-N
XLogP1.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.17
LogP ≤ 51.74
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 6,6-dimethyl-2,3-dihydropyran?
The IUPAC name of 6,6-dimethyl-2,3-dihydropyran (CID 12507028) is 6,6-dimethyl-2,3-dihydropyran.
What is the SMILES notation for 6,6-dimethyl-2,3-dihydropyran?
The canonical SMILES for 6,6-dimethyl-2,3-dihydropyran is CC1(C)C=CCCO1.
What is the InChIKey of 6,6-dimethyl-2,3-dihydropyran?
The InChIKey is VWSJYTBPEUEFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O/c1-7(2)5-3-4-6-8-7/h3,5H,4,6H2,1-2H3.
What are the key properties of 6,6-dimethyl-2,3-dihydropyran?
6,6-dimethyl-2,3-dihydropyran has a molecular weight of 112.17 g/mol, XLogP of 1.74, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-2,3-dihydropyran is sourced from PubChem (CID 12507028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).