(5-ethyl-2,5-dihydrofuran-2-yl)methyl methanesulfonate

C8H14O4S — CID 23266310

IUPAC(5-ethyl-2,5-dihydrofuran-2-yl)methyl methanesulfonate
SMILESCCC1C=CC(COS(C)(=O)=O)O1
InChIInChI=1S/C8H14O4S/c1-3-7-4-5-8(12-7)6-11-13(2,9)10/h4-5,7-8H,3,6H2,1-2H3
InChIKeyDQWYUDCMVWVTLX-UHFFFAOYSA-N
MW206.26 g/mol
LogP0.70
Rot. Bonds4

About (5-ethyl-2,5-dihydrofuran-2-yl)methyl methanesulfonate

(5-ethyl-2,5-dihydrofuran-2-yl)methyl methanesulfonate (PubChem CID 23266310) has the molecular formula C8H14O4S and a molecular weight of 206.26 g/mol. Its IUPAC name is (5-ethyl-2,5-dihydrofuran-2-yl)methyl methanesulfonate.

Molecular Properties

Compound Name(5-ethyl-2,5-dihydrofuran-2-yl)methyl methanesulfonate
PubChem CID23266310
Molecular FormulaC8H14O4S
Molecular Weight206.26 g/mol
Exact Mass206.06
IUPAC Name(5-ethyl-2,5-dihydrofuran-2-yl)methyl methanesulfonate
SMILESCCC1C=CC(COS(C)(=O)=O)O1
InChIInChI=1S/C8H14O4S/c1-3-7-4-5-8(12-7)6-11-13(2,9)10/h4-5,7-8H,3,6H2,1-2H3
InChIKeyDQWYUDCMVWVTLX-UHFFFAOYSA-N
XLogP0.70
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.26
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

[(2S)-5,5-dimethyl-2H-furan-2-yl]methyl trifluoromethanesulfonate
CID 162351022
3,6-dihydro-2H-pyran-6-ylmethyl methanesulfonate
CID 53694036
3,6-dihydro-2H-pyran-2-ylmethyl methanesulfonate
CID 54142232
[(2S)-2,5-dihydrofuran-2-yl]methyl methanesulfonate
CID 57792823
2-[(2R)-2,5-dihydrofuran-2-yl]ethyl methanesulfonate
CID 87402148
2-(2,5-Dihydrofuran-2-yl)ethyl methanesulfonate
CID 87402149
3,6-dihydro-2H-pyran-3-yl methanesulfonate
CID 126687531
1-(2,5-Dihydrofuran-2-yl)ethyl methanesulfonate
CID 164870752
1,2-Bis(2,5-dihydrofuran-2-yl)ethyl methanesulfonate
CID 170430190
(5E)-4-ethoxy-3-methoxy-8-methylsulfonylocta-1,5-diene
CID 176637587
[(Z,3R)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]hex-5-en-3-yl] methanesulfonate
CID 10802570
[(2S,5S)-5-methyl-2,5-dihydrofuran-2-yl]methyl methanesulfonate
CID 23239704

Frequently Asked Questions

What is the IUPAC name of (5-ethyl-2,5-dihydrofuran-2-yl)methyl methanesulfonate?
The IUPAC name of (5-ethyl-2,5-dihydrofuran-2-yl)methyl methanesulfonate (CID 23266310) is (5-ethyl-2,5-dihydrofuran-2-yl)methyl methanesulfonate.
What is the SMILES notation for (5-ethyl-2,5-dihydrofuran-2-yl)methyl methanesulfonate?
The canonical SMILES for (5-ethyl-2,5-dihydrofuran-2-yl)methyl methanesulfonate is CCC1C=CC(COS(C)(=O)=O)O1.
What is the InChIKey of (5-ethyl-2,5-dihydrofuran-2-yl)methyl methanesulfonate?
The InChIKey is DQWYUDCMVWVTLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O4S/c1-3-7-4-5-8(12-7)6-11-13(2,9)10/h4-5,7-8H,3,6H2,1-2H3.
What are the key properties of (5-ethyl-2,5-dihydrofuran-2-yl)methyl methanesulfonate?
(5-ethyl-2,5-dihydrofuran-2-yl)methyl methanesulfonate has a molecular weight of 206.26 g/mol, XLogP of 0.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-2,5-dihydrofuran-2-yl)methyl methanesulfonate is sourced from PubChem (CID 23266310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).