3,3-dimethyl-2,4-dihydropyran

C7H12O — CID 19101881

IUPAC3,3-dimethyl-2,4-dihydropyran
SMILESCC1(C)CC=COC1
InChIInChI=1S/C7H12O/c1-7(2)4-3-5-8-6-7/h3,5H,4,6H2,1-2H3
InChIKeyHDKCOEPJWZITBX-UHFFFAOYSA-N
MW112.17 g/mol
LogP1.95
Rot. Bonds

About 3,3-dimethyl-2,4-dihydropyran

3,3-dimethyl-2,4-dihydropyran (PubChem CID 19101881) has the molecular formula C7H12O and a molecular weight of 112.17 g/mol. Its IUPAC name is 3,3-dimethyl-2,4-dihydropyran.

Molecular Properties

Compound Name3,3-dimethyl-2,4-dihydropyran
PubChem CID19101881
Molecular FormulaC7H12O
Molecular Weight112.17 g/mol
Exact Mass112.09
IUPAC Name3,3-dimethyl-2,4-dihydropyran
SMILESCC1(C)CC=COC1
InChIInChI=1S/C7H12O/c1-7(2)4-3-5-8-6-7/h3,5H,4,6H2,1-2H3
InChIKeyHDKCOEPJWZITBX-UHFFFAOYSA-N
XLogP1.95
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 ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2,4-dihydropyran?
The IUPAC name of 3,3-dimethyl-2,4-dihydropyran (CID 19101881) is 3,3-dimethyl-2,4-dihydropyran.
What is the SMILES notation for 3,3-dimethyl-2,4-dihydropyran?
The canonical SMILES for 3,3-dimethyl-2,4-dihydropyran is CC1(C)CC=COC1.
What is the InChIKey of 3,3-dimethyl-2,4-dihydropyran?
The InChIKey is HDKCOEPJWZITBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O/c1-7(2)4-3-5-8-6-7/h3,5H,4,6H2,1-2H3.
What are the key properties of 3,3-dimethyl-2,4-dihydropyran?
3,3-dimethyl-2,4-dihydropyran has a molecular weight of 112.17 g/mol, XLogP of 1.95, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2,4-dihydropyran is sourced from PubChem (CID 19101881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).