2,2-dimethyl-3,4-dihydropyran-6-carboxylic acid

C8H12O3 — CID 11182739

IUPAC2,2-dimethyl-3,4-dihydropyran-6-carboxylic acid
SMILESCC1(C)CCC=C(C(=O)O)O1
InChIInChI=1S/C8H12O3/c1-8(2)5-3-4-6(11-8)7(9)10/h4H,3,5H2,1-2H3,(H,9,10)
InChIKeyWDPAVHGBLKWARQ-UHFFFAOYSA-N
MW156.18 g/mol
LogP1.54
Rot. Bonds1

About 2,2-dimethyl-3,4-dihydropyran-6-carboxylic acid

2,2-dimethyl-3,4-dihydropyran-6-carboxylic acid (PubChem CID 11182739) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is 2,2-dimethyl-3,4-dihydropyran-6-carboxylic acid.

Molecular Properties

Compound Name2,2-dimethyl-3,4-dihydropyran-6-carboxylic acid
PubChem CID11182739
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name2,2-dimethyl-3,4-dihydropyran-6-carboxylic acid
SMILESCC1(C)CCC=C(C(=O)O)O1
InChIInChI=1S/C8H12O3/c1-8(2)5-3-4-6(11-8)7(9)10/h4H,3,5H2,1-2H3,(H,9,10)
InChIKeyWDPAVHGBLKWARQ-UHFFFAOYSA-N
XLogP1.54
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3,4-dihydropyran-6-carboxylic acid?
The IUPAC name of 2,2-dimethyl-3,4-dihydropyran-6-carboxylic acid (CID 11182739) is 2,2-dimethyl-3,4-dihydropyran-6-carboxylic acid.
What is the SMILES notation for 2,2-dimethyl-3,4-dihydropyran-6-carboxylic acid?
The canonical SMILES for 2,2-dimethyl-3,4-dihydropyran-6-carboxylic acid is CC1(C)CCC=C(C(=O)O)O1.
What is the InChIKey of 2,2-dimethyl-3,4-dihydropyran-6-carboxylic acid?
The InChIKey is WDPAVHGBLKWARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3/c1-8(2)5-3-4-6(11-8)7(9)10/h4H,3,5H2,1-2H3,(H,9,10).
What are the key properties of 2,2-dimethyl-3,4-dihydropyran-6-carboxylic acid?
2,2-dimethyl-3,4-dihydropyran-6-carboxylic acid has a molecular weight of 156.18 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3,4-dihydropyran-6-carboxylic acid is sourced from PubChem (CID 11182739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).