methyl 2-(3,4-dihydro-2H-pyran-2-yl)acetate

C8H12O3 — CID 15920842

IUPACmethyl 2-(3,4-dihydro-2H-pyran-2-yl)acetate
SMILESCOC(=O)CC1CCC=CO1
InChIInChI=1S/C8H12O3/c1-10-8(9)6-7-4-2-3-5-11-7/h3,5,7H,2,4,6H2,1H3
InChIKeyGZRUICHXCAPQFU-UHFFFAOYSA-N
MW156.18 g/mol
LogP1.24
Rot. Bonds2

About methyl 2-(3,4-dihydro-2H-pyran-2-yl)acetate

methyl 2-(3,4-dihydro-2H-pyran-2-yl)acetate (PubChem CID 15920842) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is methyl 2-(3,4-dihydro-2H-pyran-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(3,4-dihydro-2H-pyran-2-yl)acetate
PubChem CID15920842
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Namemethyl 2-(3,4-dihydro-2H-pyran-2-yl)acetate
SMILESCOC(=O)CC1CCC=CO1
InChIInChI=1S/C8H12O3/c1-10-8(9)6-7-4-2-3-5-11-7/h3,5,7H,2,4,6H2,1H3
InChIKeyGZRUICHXCAPQFU-UHFFFAOYSA-N
XLogP1.24
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(3,4-dihydro-2H-pyran-2-yl)acetate?
The IUPAC name of methyl 2-(3,4-dihydro-2H-pyran-2-yl)acetate (CID 15920842) is methyl 2-(3,4-dihydro-2H-pyran-2-yl)acetate.
What is the SMILES notation for methyl 2-(3,4-dihydro-2H-pyran-2-yl)acetate?
The canonical SMILES for methyl 2-(3,4-dihydro-2H-pyran-2-yl)acetate is COC(=O)CC1CCC=CO1.
What is the InChIKey of methyl 2-(3,4-dihydro-2H-pyran-2-yl)acetate?
The InChIKey is GZRUICHXCAPQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3/c1-10-8(9)6-7-4-2-3-5-11-7/h3,5,7H,2,4,6H2,1H3.
What are the key properties of methyl 2-(3,4-dihydro-2H-pyran-2-yl)acetate?
methyl 2-(3,4-dihydro-2H-pyran-2-yl)acetate has a molecular weight of 156.18 g/mol, XLogP of 1.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3,4-dihydro-2H-pyran-2-yl)acetate is sourced from PubChem (CID 15920842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).