methyl 2-[(2S)-3,6-dihydro-2H-pyran-2-yl]acetate

C8H12O3 — CID 172560729

IUPACmethyl 2-[(2S)-3,6-dihydro-2H-pyran-2-yl]acetate
SMILESCOC(=O)C[C@@H]1CC=CCO1
InChIInChI=1S/C8H12O3/c1-10-8(9)6-7-4-2-3-5-11-7/h2-3,7H,4-6H2,1H3/t7-/m0/s1
InChIKeyIFMHHZUNWJMQOA-ZETCQYMHSA-N
MW156.18 g/mol
LogP0.89
Rot. Bonds2

About methyl 2-[(2S)-3,6-dihydro-2H-pyran-2-yl]acetate

methyl 2-[(2S)-3,6-dihydro-2H-pyran-2-yl]acetate (PubChem CID 172560729) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is methyl 2-[(2S)-3,6-dihydro-2H-pyran-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2S)-3,6-dihydro-2H-pyran-2-yl]acetate
PubChem CID172560729
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Namemethyl 2-[(2S)-3,6-dihydro-2H-pyran-2-yl]acetate
SMILESCOC(=O)C[C@@H]1CC=CCO1
InChIInChI=1S/C8H12O3/c1-10-8(9)6-7-4-2-3-5-11-7/h2-3,7H,4-6H2,1H3/t7-/m0/s1
InChIKeyIFMHHZUNWJMQOA-ZETCQYMHSA-N
XLogP0.89
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 ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze methyl 2-[(2S)-3,6-dihydro-2H-pyran-2-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S,5S,8Z,11R,14S)-14-ethoxy-5-methyl-4,15-dioxabicyclo[9.3.1]pentadeca-8,12-dien-3-one
CID 73355091
(5S)-5-[(Z)-but-1-enyl]oxolan-2-one
CID 163092536
Methyl 2-cyclohex-enyl acetate
CID 10986464
(z)-5-Octen-4-olide
CID 101643625
methyl 2-(6-methoxy-6-methyl-3H-1,2-dioxin-3-yl)acetate
CID 380167
Cyclohex-2-en-1-yl butanoate
CID 85781064
Cyclohex-2-en-1-yl hexanoate
CID 139108915
Ethyl 2,2-difluoro-3-pent-3-en-2-yloxypentanoate
CID 149924141
Methyl 2,2-difluoro-3-pent-3-en-2-yloxypentanoate
CID 177712076
[(2R,3S,6R)-3-acetyloxy-6-(2-oxopropyl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 11231025
2-Propyl-2,5-dihydropyran-6-one
CID 12063897
[3-acetyloxy-6-(2-oxopropyl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 14157780

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2S)-3,6-dihydro-2H-pyran-2-yl]acetate?
The IUPAC name of methyl 2-[(2S)-3,6-dihydro-2H-pyran-2-yl]acetate (CID 172560729) is methyl 2-[(2S)-3,6-dihydro-2H-pyran-2-yl]acetate.
What is the SMILES notation for methyl 2-[(2S)-3,6-dihydro-2H-pyran-2-yl]acetate?
The canonical SMILES for methyl 2-[(2S)-3,6-dihydro-2H-pyran-2-yl]acetate is COC(=O)C[C@@H]1CC=CCO1.
What is the InChIKey of methyl 2-[(2S)-3,6-dihydro-2H-pyran-2-yl]acetate?
The InChIKey is IFMHHZUNWJMQOA-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H12O3/c1-10-8(9)6-7-4-2-3-5-11-7/h2-3,7H,4-6H2,1H3/t7-/m0/s1.
What are the key properties of methyl 2-[(2S)-3,6-dihydro-2H-pyran-2-yl]acetate?
methyl 2-[(2S)-3,6-dihydro-2H-pyran-2-yl]acetate has a molecular weight of 156.18 g/mol, XLogP of 0.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2S)-3,6-dihydro-2H-pyran-2-yl]acetate is sourced from PubChem (CID 172560729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).