[(2R)-5,5-dimethyloxolan-2-yl]methyl furan-2-carboxylate

C12H16O4 — CID 99795689

IUPAC[(2R)-5,5-dimethyloxolan-2-yl]methyl furan-2-carboxylate
SMILESCC1(C)CC[C@H](COC(=O)c2ccco2)O1
InChIInChI=1S/C12H16O4/c1-12(2)6-5-9(16-12)8-15-11(13)10-4-3-7-14-10/h3-4,7,9H,5-6,8H2,1-2H3/t9-/m1/s1
InChIKeySAICJHWGCVSPDP-SECBINFHSA-N
MW224.26 g/mol
LogP2.39
Rot. Bonds3

About [(2R)-5,5-dimethyloxolan-2-yl]methyl furan-2-carboxylate

[(2R)-5,5-dimethyloxolan-2-yl]methyl furan-2-carboxylate (PubChem CID 99795689) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is [(2R)-5,5-dimethyloxolan-2-yl]methyl furan-2-carboxylate.

Molecular Properties

Compound Name[(2R)-5,5-dimethyloxolan-2-yl]methyl furan-2-carboxylate
PubChem CID99795689
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Name[(2R)-5,5-dimethyloxolan-2-yl]methyl furan-2-carboxylate
SMILESCC1(C)CC[C@H](COC(=O)c2ccco2)O1
InChIInChI=1S/C12H16O4/c1-12(2)6-5-9(16-12)8-15-11(13)10-4-3-7-14-10/h3-4,7,9H,5-6,8H2,1-2H3/t9-/m1/s1
InChIKeySAICJHWGCVSPDP-SECBINFHSA-N
XLogP2.39
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

oxolan-2-ylmethyl furan-2-carboxylate
CID 551325
(5,5-dimethyloxolan-2-yl)methyl 2-amino-6-chlorobenzoate
CID 116523259
(5,5-dimethyloxolan-2-yl)methyl 2-(3-aminophenyl)acetate
CID 116523255
(5,5-dimethyloxolan-2-yl)methyl 3-(3-aminophenyl)propanoate
CID 116523265
[(1R,3R)-2,2-dichloro-3-(furan-2-carbonyloxymethyl)cyclopropyl]methyl furan-2-carboxylate
CID 1183207
piperidin-4-ylmethyl furan-2-carboxylate
CID 53410145
bromomethyl furan-2-carboxylate
CID 54363056
(5,5-dimethyloxolan-2-yl)methyl 3-(4-aminophenoxy)propanoate
CID 116523238
[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] furan-2-carboxylate
CID 2350620
3-(5,5-dimethyloxolan-2-yl)-2-(phenylmethoxycarbonylamino)propanoic acid
CID 104889539
2-(1-methylpyrrolidin-2-yl)ethyl furan-2-carboxylate
CID 23738695
[3-(furan-2-carbonyloxymethyl)-2,4,6-trimethylphenyl]methyl furan-2-carboxylate
CID 7891692

Frequently Asked Questions

What is the IUPAC name of [(2R)-5,5-dimethyloxolan-2-yl]methyl furan-2-carboxylate?
The IUPAC name of [(2R)-5,5-dimethyloxolan-2-yl]methyl furan-2-carboxylate (CID 99795689) is [(2R)-5,5-dimethyloxolan-2-yl]methyl furan-2-carboxylate.
What is the SMILES notation for [(2R)-5,5-dimethyloxolan-2-yl]methyl furan-2-carboxylate?
The canonical SMILES for [(2R)-5,5-dimethyloxolan-2-yl]methyl furan-2-carboxylate is CC1(C)CC[C@H](COC(=O)c2ccco2)O1.
What is the InChIKey of [(2R)-5,5-dimethyloxolan-2-yl]methyl furan-2-carboxylate?
The InChIKey is SAICJHWGCVSPDP-SECBINFHSA-N. The full InChI is InChI=1S/C12H16O4/c1-12(2)6-5-9(16-12)8-15-11(13)10-4-3-7-14-10/h3-4,7,9H,5-6,8H2,1-2H3/t9-/m1/s1.
What are the key properties of [(2R)-5,5-dimethyloxolan-2-yl]methyl furan-2-carboxylate?
[(2R)-5,5-dimethyloxolan-2-yl]methyl furan-2-carboxylate has a molecular weight of 224.26 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-5,5-dimethyloxolan-2-yl]methyl furan-2-carboxylate is sourced from PubChem (CID 99795689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).