methyl 2-[(3aR,4R,7aS)-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran-4-yl]acetate

C10H16O4 — CID 24814758

IUPACmethyl 2-[(3aR,4R,7aS)-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran-4-yl]acetate
SMILESCOC(=O)C[C@H]1CCO[C@@H]2OCC[C@H]12
InChIInChI=1S/C10H16O4/c1-12-9(11)6-7-2-4-13-10-8(7)3-5-14-10/h7-8,10H,2-6H2,1H3/t7-,8-,10-/m1/s1
InChIKeyLLZDPBZKNBBFAW-NQMVMOMDSA-N
MW200.23 g/mol
LogP0.95
Rot. Bonds2

About methyl 2-[(3aR,4R,7aS)-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran-4-yl]acetate

methyl 2-[(3aR,4R,7aS)-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran-4-yl]acetate (PubChem CID 24814758) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is methyl 2-[(3aR,4R,7aS)-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(3aR,4R,7aS)-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran-4-yl]acetate
PubChem CID24814758
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Namemethyl 2-[(3aR,4R,7aS)-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran-4-yl]acetate
SMILESCOC(=O)C[C@H]1CCO[C@@H]2OCC[C@H]12
InChIInChI=1S/C10H16O4/c1-12-9(11)6-7-2-4-13-10-8(7)3-5-14-10/h7-8,10H,2-6H2,1H3/t7-,8-,10-/m1/s1
InChIKeyLLZDPBZKNBBFAW-NQMVMOMDSA-N
XLogP0.95
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-[(3aR,4R,7aS)-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran-4-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

Methyl 3,5-dimethyl-6-(tetrahydro-2h-pyran-2-yloxy)-hexanoate
CID 129866516
cis-ethyl (1R,2S)-2-[2-(oxan-2-yloxy)ethyl]cyclopropane-1-carboxylate
CID 21631979
(3aS)-3a-ethyl-4,5,6,7a-tetrahydro-3H-furo[2,3-b]pyran-2-one
CID 10678735
Jwvsremuehyjtp-ncufmzkjsa-
CID 21729085
methyl 2-[(3S,3aR,7aS)-5-acetyloxy-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyran-3-yl]acetate
CID 101699726
Methyl 2-oxo-3,3a,4,5,6,7a-hexahydrofuro[2,3-b]pyran-3-carboxylate
CID 10943498
Ethyl 4-(diethoxymethyl)hexanoate
CID 12952917
Methyl 4-(1,3-dioxolan-2-yl)hexanoate
CID 15014807
Ethyl 2-(2-((tetrahydro-2H-pyran-2-yl)oxy)ethyl)cyclopropanecarboxylate
CID 15450926
3-(1,1-Diethoxybutan-2-yl)-4-methyloxolane-2,5-dione
CID 18716736
3-(1,1-Dimethoxybutan-2-yl)-4-methyloxolane-2,5-dione
CID 18716738
3-[1-(1,3-Dioxan-2-yl)propyl]-4-methyloxolane-2,5-dione
CID 22898120

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3aR,4R,7aS)-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran-4-yl]acetate?
The IUPAC name of methyl 2-[(3aR,4R,7aS)-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran-4-yl]acetate (CID 24814758) is methyl 2-[(3aR,4R,7aS)-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran-4-yl]acetate.
What is the SMILES notation for methyl 2-[(3aR,4R,7aS)-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran-4-yl]acetate?
The canonical SMILES for methyl 2-[(3aR,4R,7aS)-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran-4-yl]acetate is COC(=O)C[C@H]1CCO[C@@H]2OCC[C@H]12.
What is the InChIKey of methyl 2-[(3aR,4R,7aS)-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran-4-yl]acetate?
The InChIKey is LLZDPBZKNBBFAW-NQMVMOMDSA-N. The full InChI is InChI=1S/C10H16O4/c1-12-9(11)6-7-2-4-13-10-8(7)3-5-14-10/h7-8,10H,2-6H2,1H3/t7-,8-,10-/m1/s1.
What are the key properties of methyl 2-[(3aR,4R,7aS)-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran-4-yl]acetate?
methyl 2-[(3aR,4R,7aS)-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran-4-yl]acetate has a molecular weight of 200.23 g/mol, XLogP of 0.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3aR,4R,7aS)-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran-4-yl]acetate is sourced from PubChem (CID 24814758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).