4,4-dimethyl-2,3-dihydropyran

C7H12O — CID 14903586

IUPAC4,4-dimethyl-2,3-dihydropyran
SMILESCC1(C)C=COCC1
InChIInChI=1S/C7H12O/c1-7(2)3-5-8-6-4-7/h3,5H,4,6H2,1-2H3
InChIKeyJNHSLLWORMFHKQ-UHFFFAOYSA-N
MW112.17 g/mol
LogP1.95
Rot. Bonds

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

4,4-dimethyl-2,3-dihydropyran (PubChem CID 14903586) has the molecular formula C7H12O and a molecular weight of 112.17 g/mol. Its IUPAC name is 4,4-dimethyl-2,3-dihydropyran.

Molecular Properties

Compound Name4,4-dimethyl-2,3-dihydropyran
PubChem CID14903586
Molecular FormulaC7H12O
Molecular Weight112.17 g/mol
Exact Mass112.09
IUPAC Name4,4-dimethyl-2,3-dihydropyran
SMILESCC1(C)C=COCC1
InChIInChI=1S/C7H12O/c1-7(2)3-5-8-6-4-7/h3,5H,4,6H2,1-2H3
InChIKeyJNHSLLWORMFHKQ-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 4,4-dimethyl-2,3-dihydropyran?
The IUPAC name of 4,4-dimethyl-2,3-dihydropyran (CID 14903586) is 4,4-dimethyl-2,3-dihydropyran.
What is the SMILES notation for 4,4-dimethyl-2,3-dihydropyran?
The canonical SMILES for 4,4-dimethyl-2,3-dihydropyran is CC1(C)C=COCC1.
What is the InChIKey of 4,4-dimethyl-2,3-dihydropyran?
The InChIKey is JNHSLLWORMFHKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O/c1-7(2)3-5-8-6-4-7/h3,5H,4,6H2,1-2H3.
What are the key properties of 4,4-dimethyl-2,3-dihydropyran?
4,4-dimethyl-2,3-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 4,4-dimethyl-2,3-dihydropyran is sourced from PubChem (CID 14903586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).