2-(3,4-dihydro-2H-pyran-6-yl)-2-[(2-methylpropan-2-yl)oxy]acetic acid

C11H18O4 — CID 66631486

IUPAC2-(3,4-dihydro-2H-pyran-6-yl)-2-[(2-methylpropan-2-yl)oxy]acetic acid
SMILESCC(C)(C)OC(C(=O)O)C1=CCCCO1
InChIInChI=1S/C11H18O4/c1-11(2,3)15-9(10(12)13)8-6-4-5-7-14-8/h6,9H,4-5,7H2,1-3H3,(H,12,13)
InChIKeyDVQVTTCVBGGDFP-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.95
Rot. Bonds3

About 2-(3,4-dihydro-2H-pyran-6-yl)-2-[(2-methylpropan-2-yl)oxy]acetic acid

2-(3,4-dihydro-2H-pyran-6-yl)-2-[(2-methylpropan-2-yl)oxy]acetic acid (PubChem CID 66631486) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-pyran-6-yl)-2-[(2-methylpropan-2-yl)oxy]acetic acid.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-pyran-6-yl)-2-[(2-methylpropan-2-yl)oxy]acetic acid
PubChem CID66631486
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Name2-(3,4-dihydro-2H-pyran-6-yl)-2-[(2-methylpropan-2-yl)oxy]acetic acid
SMILESCC(C)(C)OC(C(=O)O)C1=CCCCO1
InChIInChI=1S/C11H18O4/c1-11(2,3)15-9(10(12)13)8-6-4-5-7-14-8/h6,9H,4-5,7H2,1-3H3,(H,12,13)
InChIKeyDVQVTTCVBGGDFP-UHFFFAOYSA-N
XLogP1.95
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-pyran-6-yl)-2-[(2-methylpropan-2-yl)oxy]acetic acid?
The IUPAC name of 2-(3,4-dihydro-2H-pyran-6-yl)-2-[(2-methylpropan-2-yl)oxy]acetic acid (CID 66631486) is 2-(3,4-dihydro-2H-pyran-6-yl)-2-[(2-methylpropan-2-yl)oxy]acetic acid.
What is the SMILES notation for 2-(3,4-dihydro-2H-pyran-6-yl)-2-[(2-methylpropan-2-yl)oxy]acetic acid?
The canonical SMILES for 2-(3,4-dihydro-2H-pyran-6-yl)-2-[(2-methylpropan-2-yl)oxy]acetic acid is CC(C)(C)OC(C(=O)O)C1=CCCCO1.
What is the InChIKey of 2-(3,4-dihydro-2H-pyran-6-yl)-2-[(2-methylpropan-2-yl)oxy]acetic acid?
The InChIKey is DVQVTTCVBGGDFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O4/c1-11(2,3)15-9(10(12)13)8-6-4-5-7-14-8/h6,9H,4-5,7H2,1-3H3,(H,12,13).
What are the key properties of 2-(3,4-dihydro-2H-pyran-6-yl)-2-[(2-methylpropan-2-yl)oxy]acetic acid?
2-(3,4-dihydro-2H-pyran-6-yl)-2-[(2-methylpropan-2-yl)oxy]acetic acid has a molecular weight of 214.26 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-pyran-6-yl)-2-[(2-methylpropan-2-yl)oxy]acetic acid is sourced from PubChem (CID 66631486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).