methyl (5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,5-dihydrofuran-3-carboxylate

C11H16O5 — CID 10977227

IUPACmethyl (5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,5-dihydrofuran-3-carboxylate
SMILESCOC(=O)C1=C[C@@H]([C@H]2COC(C)(C)O2)OC1
InChIInChI=1S/C11H16O5/c1-11(2)15-6-9(16-11)8-4-7(5-14-8)10(12)13-3/h4,8-9H,5-6H2,1-3H3/t8-,9+/m0/s1
InChIKeyVORXOWSZQYRQNP-DTWKUNHWSA-N
MW228.24 g/mol
LogP0.64
Rot. Bonds2

About methyl (5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,5-dihydrofuran-3-carboxylate

methyl (5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,5-dihydrofuran-3-carboxylate (PubChem CID 10977227) has the molecular formula C11H16O5 and a molecular weight of 228.24 g/mol. Its IUPAC name is methyl (5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,5-dihydrofuran-3-carboxylate.

Molecular Properties

Compound Namemethyl (5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,5-dihydrofuran-3-carboxylate
PubChem CID10977227
Molecular FormulaC11H16O5
Molecular Weight228.24 g/mol
Exact Mass228.10
IUPAC Namemethyl (5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,5-dihydrofuran-3-carboxylate
SMILESCOC(=O)C1=C[C@@H]([C@H]2COC(C)(C)O2)OC1
InChIInChI=1S/C11H16O5/c1-11(2)15-6-9(16-11)8-4-7(5-14-8)10(12)13-3/h4,8-9H,5-6H2,1-3H3/t8-,9+/m0/s1
InChIKeyVORXOWSZQYRQNP-DTWKUNHWSA-N
XLogP0.64
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl (5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,5-dihydrofuran-3-carboxylate with MolForge

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Related Compounds

ethyl (E)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-enoate
CID 11458548
(S,E)-ethyl 3-(2,2-diMethyl-1,3-dioxolan-4-yl)-2-Methylacrylate
CID 11095961
2-Oxo-1,3-dioxolane-4-yl methyl methacrylate
CID 88413975
ethyl (E)-3-[5-[(E)-3-ethoxy-3-oxo-prop-1-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate
CID 5468983
Repbgwqgpxxiej-fnorwqnlsa-
CID 50936969
diethyl 2-[2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-oxoethylidene]propanedioate
CID 10891924
ethyl (E)-3-[(4S,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]prop-2-enoate
CID 10976818
ethyl (E)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-enoate
CID 11736033
tert-butyl (E)-3-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate
CID 12113504
(2s,3s)-3,6-Dihydro-6-oxo-2-{(1e)-2-[(4s,5s)-2,2,5-trimethyl-1,3-dioxolan-4-yl]ethenyl}-2h-pyran-3-yl (2e)-2-methylbut-2-enoate
CID 15087886
ethyl (Z)-3-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate
CID 15483612
ethyl (E)-3-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate
CID 15483613

Frequently Asked Questions

What is the IUPAC name of methyl (5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,5-dihydrofuran-3-carboxylate?
The IUPAC name of methyl (5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,5-dihydrofuran-3-carboxylate (CID 10977227) is methyl (5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,5-dihydrofuran-3-carboxylate.
What is the SMILES notation for methyl (5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,5-dihydrofuran-3-carboxylate?
The canonical SMILES for methyl (5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,5-dihydrofuran-3-carboxylate is COC(=O)C1=C[C@@H]([C@H]2COC(C)(C)O2)OC1.
What is the InChIKey of methyl (5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,5-dihydrofuran-3-carboxylate?
The InChIKey is VORXOWSZQYRQNP-DTWKUNHWSA-N. The full InChI is InChI=1S/C11H16O5/c1-11(2)15-6-9(16-11)8-4-7(5-14-8)10(12)13-3/h4,8-9H,5-6H2,1-3H3/t8-,9+/m0/s1.
What are the key properties of methyl (5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,5-dihydrofuran-3-carboxylate?
methyl (5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,5-dihydrofuran-3-carboxylate has a molecular weight of 228.24 g/mol, XLogP of 0.64, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,5-dihydrofuran-3-carboxylate is sourced from PubChem (CID 10977227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).