4-[(2S,6R)-2,6-dimethoxyoxan-4-yl]-2H-furan-5-one

C11H16O5 — CID 162885464

IUPAC4-[(2S,6R)-2,6-dimethoxyoxan-4-yl]-2H-furan-5-one
SMILESCO[C@H]1CC(C2=CCOC2=O)C[C@@H](OC)O1
InChIInChI=1S/C11H16O5/c1-13-9-5-7(6-10(14-2)16-9)8-3-4-15-11(8)12/h3,7,9-10H,4-6H2,1-2H3/t7?,9-,10+
InChIKeyDKIHDNVPWKNNBN-RSMPGPOFSA-N
MW228.24 g/mol
LogP0.84
Rot. Bonds3

About 4-[(2S,6R)-2,6-dimethoxyoxan-4-yl]-2H-furan-5-one

4-[(2S,6R)-2,6-dimethoxyoxan-4-yl]-2H-furan-5-one (PubChem CID 162885464) has the molecular formula C11H16O5 and a molecular weight of 228.24 g/mol. Its IUPAC name is 4-[(2S,6R)-2,6-dimethoxyoxan-4-yl]-2H-furan-5-one.

Molecular Properties

Compound Name4-[(2S,6R)-2,6-dimethoxyoxan-4-yl]-2H-furan-5-one
PubChem CID162885464
Molecular FormulaC11H16O5
Molecular Weight228.24 g/mol
Exact Mass228.10
IUPAC Name4-[(2S,6R)-2,6-dimethoxyoxan-4-yl]-2H-furan-5-one
SMILESCO[C@H]1CC(C2=CCOC2=O)C[C@@H](OC)O1
InChIInChI=1S/C11H16O5/c1-13-9-5-7(6-10(14-2)16-9)8-3-4-15-11(8)12/h3,7,9-10H,4-6H2,1-2H3/t7?,9-,10+
InChIKeyDKIHDNVPWKNNBN-RSMPGPOFSA-N
XLogP0.84
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,4S,6S)-4,6-dimethoxy-2-methyloxan-3-one
CID 130909521
4-methyl-2H-furan-5-one;(2-methylpropan-2-yl)oxysilane
CID 173015894
(2S,6R)-2,6-dimethoxy-5-phenyl-3,6-dihydro-2H-pyran
CID 102378415
(2S,3R,5S)-2,5-dimethoxyoxolan-3-ol
CID 99988447
(2R,3R,4S,6S)-3-amino-6-methoxy-2-methyloxan-4-ol
CID 130909200
(2S,3R,4S,6S)-6-methoxy-2-methyloxane-3,4-diol
CID 12775768
(2S,3S,5S)-2-ethyl-5-methoxyoxolan-3-ol
CID 158313772
6-methoxy-2-methyloxan-3-one
CID 13011795
4-(trimethylsilylmethyl)-2H-furan-5-one
CID 14116359
(2R,3R,5S)-3-fluoro-5-methoxy-2-(phenylmethoxymethyl)oxolane
CID 91316153
(2R,3S,5S)-5-methoxy-2-(methoxymethyl)oxolan-3-ol
CID 130763870
(2R,3S,5R)-5-methoxy-2-(methoxymethyl)oxolan-3-ol
CID 130763871

Frequently Asked Questions

What is the IUPAC name of 4-[(2S,6R)-2,6-dimethoxyoxan-4-yl]-2H-furan-5-one?
The IUPAC name of 4-[(2S,6R)-2,6-dimethoxyoxan-4-yl]-2H-furan-5-one (CID 162885464) is 4-[(2S,6R)-2,6-dimethoxyoxan-4-yl]-2H-furan-5-one.
What is the SMILES notation for 4-[(2S,6R)-2,6-dimethoxyoxan-4-yl]-2H-furan-5-one?
The canonical SMILES for 4-[(2S,6R)-2,6-dimethoxyoxan-4-yl]-2H-furan-5-one is CO[C@H]1CC(C2=CCOC2=O)C[C@@H](OC)O1.
What is the InChIKey of 4-[(2S,6R)-2,6-dimethoxyoxan-4-yl]-2H-furan-5-one?
The InChIKey is DKIHDNVPWKNNBN-RSMPGPOFSA-N. The full InChI is InChI=1S/C11H16O5/c1-13-9-5-7(6-10(14-2)16-9)8-3-4-15-11(8)12/h3,7,9-10H,4-6H2,1-2H3/t7?,9-,10+.
What are the key properties of 4-[(2S,6R)-2,6-dimethoxyoxan-4-yl]-2H-furan-5-one?
4-[(2S,6R)-2,6-dimethoxyoxan-4-yl]-2H-furan-5-one has a molecular weight of 228.24 g/mol, XLogP of 0.84, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S,6R)-2,6-dimethoxyoxan-4-yl]-2H-furan-5-one is sourced from PubChem (CID 162885464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).