2,3,4-trimethyl-3,4-dihydro-2H-pyran-6-carboxylic acid

C9H14O3 — CID 23314162

IUPAC2,3,4-trimethyl-3,4-dihydro-2H-pyran-6-carboxylic acid
SMILESCC1C=C(C(=O)O)OC(C)C1C
InChIInChI=1S/C9H14O3/c1-5-4-8(9(10)11)12-7(3)6(5)2/h4-7H,1-3H3,(H,10,11)
InChIKeyIMVNDNQARZYRBS-UHFFFAOYSA-N
MW170.21 g/mol
LogP1.65
Rot. Bonds1

About 2,3,4-trimethyl-3,4-dihydro-2H-pyran-6-carboxylic acid

2,3,4-trimethyl-3,4-dihydro-2H-pyran-6-carboxylic acid (PubChem CID 23314162) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is 2,3,4-trimethyl-3,4-dihydro-2H-pyran-6-carboxylic acid.

Molecular Properties

Compound Name2,3,4-trimethyl-3,4-dihydro-2H-pyran-6-carboxylic acid
PubChem CID23314162
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name2,3,4-trimethyl-3,4-dihydro-2H-pyran-6-carboxylic acid
SMILESCC1C=C(C(=O)O)OC(C)C1C
InChIInChI=1S/C9H14O3/c1-5-4-8(9(10)11)12-7(3)6(5)2/h4-7H,1-3H3,(H,10,11)
InChIKeyIMVNDNQARZYRBS-UHFFFAOYSA-N
XLogP1.65
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethyl-3,4-dihydro-2H-pyran-6-carboxylic acid?
The IUPAC name of 2,3,4-trimethyl-3,4-dihydro-2H-pyran-6-carboxylic acid (CID 23314162) is 2,3,4-trimethyl-3,4-dihydro-2H-pyran-6-carboxylic acid.
What is the SMILES notation for 2,3,4-trimethyl-3,4-dihydro-2H-pyran-6-carboxylic acid?
The canonical SMILES for 2,3,4-trimethyl-3,4-dihydro-2H-pyran-6-carboxylic acid is CC1C=C(C(=O)O)OC(C)C1C.
What is the InChIKey of 2,3,4-trimethyl-3,4-dihydro-2H-pyran-6-carboxylic acid?
The InChIKey is IMVNDNQARZYRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3/c1-5-4-8(9(10)11)12-7(3)6(5)2/h4-7H,1-3H3,(H,10,11).
What are the key properties of 2,3,4-trimethyl-3,4-dihydro-2H-pyran-6-carboxylic acid?
2,3,4-trimethyl-3,4-dihydro-2H-pyran-6-carboxylic acid has a molecular weight of 170.21 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethyl-3,4-dihydro-2H-pyran-6-carboxylic acid is sourced from PubChem (CID 23314162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).