methyl 2-methyl-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran-3-carboxylate

C10H14O4 — CID 11159928

IUPACmethyl 2-methyl-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran-3-carboxylate
SMILESCOC(=O)C1=C(C)OC2OCCCC12
InChIInChI=1S/C10H14O4/c1-6-8(9(11)12-2)7-4-3-5-13-10(7)14-6/h7,10H,3-5H2,1-2H3
InChIKeyZDSSNMYKAIYUMO-UHFFFAOYSA-N
MW198.22 g/mol
LogP1.22
Rot. Bonds1

About methyl 2-methyl-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran-3-carboxylate

methyl 2-methyl-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran-3-carboxylate (PubChem CID 11159928) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is methyl 2-methyl-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran-3-carboxylate
PubChem CID11159928
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Namemethyl 2-methyl-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran-3-carboxylate
SMILESCOC(=O)C1=C(C)OC2OCCCC12
InChIInChI=1S/C10H14O4/c1-6-8(9(11)12-2)7-4-3-5-13-10(7)14-6/h7,10H,3-5H2,1-2H3
InChIKeyZDSSNMYKAIYUMO-UHFFFAOYSA-N
XLogP1.22
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (4aR,7aR)-3-methyl-4a,6,7,7a-tetrahydrofuro[2,3-b][1,4]oxathiine-2-carboxylate
CID 102396777
methyl 1,3-dimethyl-6-oxo-4a,5,8,8a-tetrahydro-1H-pyrano[3,4-c]pyran-4-carboxylate
CID 162867258
methyl 9-ethyl-3,8-dimethyl-2-oxa-8-azabicyclo[3.3.1]non-3-ene-4-carboxylate
CID 12581471
methyl 4-methyl-2-(oxolan-2-yl)-1,3-thiazole-5-carboxylate
CID 115327935
methyl 4-[[(2R)-oxolane-2-carbonyl]amino]benzoate
CID 1086797
methyl 5-[[(1S)-1-[(2R)-oxolan-2-yl]ethyl]carbamoyl]thiophene-2-carboxylate
CID 35252676
methyl 2-[methyl-[2-(oxolan-2-yl)ethyl]amino]benzoate
CID 65166161
methyl (11S,15R)-8-hydroxy-14,16-dioxatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8-pentaene-9-carboxylate
CID 71812452
methyl 3-amino-2-[1-(oxolan-2-yl)ethylamino]benzoate
CID 112578121
methyl 2-[2-(oxolan-2-yl)ethylsulfonyl]benzoate
CID 167992070
methyl 3-methyl-7-oxabicyclo[2.2.1]hept-2-ene-2-carboxylate
CID 147502721
methyl 2-amino-3-(oxolan-2-ylmethylsulfanyl)benzoate
CID 106495160

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran-3-carboxylate?
The IUPAC name of methyl 2-methyl-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran-3-carboxylate (CID 11159928) is methyl 2-methyl-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran-3-carboxylate.
What is the SMILES notation for methyl 2-methyl-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran-3-carboxylate?
The canonical SMILES for methyl 2-methyl-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran-3-carboxylate is COC(=O)C1=C(C)OC2OCCCC12.
What is the InChIKey of methyl 2-methyl-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran-3-carboxylate?
The InChIKey is ZDSSNMYKAIYUMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4/c1-6-8(9(11)12-2)7-4-3-5-13-10(7)14-6/h7,10H,3-5H2,1-2H3.
What are the key properties of methyl 2-methyl-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran-3-carboxylate?
methyl 2-methyl-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran-3-carboxylate has a molecular weight of 198.22 g/mol, XLogP of 1.22, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran-3-carboxylate is sourced from PubChem (CID 11159928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).