(2R)-3-hydroxy-4-[(4S)-4-hydroxyhexyl]-2-methyl-2H-furan-5-one

C11H18O4 — CID 170988633

IUPAC(2R)-3-hydroxy-4-[(4S)-4-hydroxyhexyl]-2-methyl-2H-furan-5-one
SMILESCC[C@H](O)CCCC1=C(O)[C@@H](C)OC1=O
InChIInChI=1S/C11H18O4/c1-3-8(12)5-4-6-9-10(13)7(2)15-11(9)14/h7-8,12-13H,3-6H2,1-2H3/t7-,8+/m1/s1
InChIKeyNDCAJVSELLWDME-SFYZADRCSA-N
MW214.26 g/mol
LogP1.68
Rot. Bonds5

About (2R)-3-hydroxy-4-[(4S)-4-hydroxyhexyl]-2-methyl-2H-furan-5-one

(2R)-3-hydroxy-4-[(4S)-4-hydroxyhexyl]-2-methyl-2H-furan-5-one (PubChem CID 170988633) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is (2R)-3-hydroxy-4-[(4S)-4-hydroxyhexyl]-2-methyl-2H-furan-5-one.

Molecular Properties

Compound Name(2R)-3-hydroxy-4-[(4S)-4-hydroxyhexyl]-2-methyl-2H-furan-5-one
PubChem CID170988633
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Name(2R)-3-hydroxy-4-[(4S)-4-hydroxyhexyl]-2-methyl-2H-furan-5-one
SMILESCC[C@H](O)CCCC1=C(O)[C@@H](C)OC1=O
InChIInChI=1S/C11H18O4/c1-3-8(12)5-4-6-9-10(13)7(2)15-11(9)14/h7-8,12-13H,3-6H2,1-2H3/t7-,8+/m1/s1
InChIKeyNDCAJVSELLWDME-SFYZADRCSA-N
XLogP1.68
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-hydroxy-4-[(4S)-4-hydroxyhexyl]-2-methyl-2H-furan-5-one?
The IUPAC name of (2R)-3-hydroxy-4-[(4S)-4-hydroxyhexyl]-2-methyl-2H-furan-5-one (CID 170988633) is (2R)-3-hydroxy-4-[(4S)-4-hydroxyhexyl]-2-methyl-2H-furan-5-one.
What is the SMILES notation for (2R)-3-hydroxy-4-[(4S)-4-hydroxyhexyl]-2-methyl-2H-furan-5-one?
The canonical SMILES for (2R)-3-hydroxy-4-[(4S)-4-hydroxyhexyl]-2-methyl-2H-furan-5-one is CC[C@H](O)CCCC1=C(O)[C@@H](C)OC1=O.
What is the InChIKey of (2R)-3-hydroxy-4-[(4S)-4-hydroxyhexyl]-2-methyl-2H-furan-5-one?
The InChIKey is NDCAJVSELLWDME-SFYZADRCSA-N. The full InChI is InChI=1S/C11H18O4/c1-3-8(12)5-4-6-9-10(13)7(2)15-11(9)14/h7-8,12-13H,3-6H2,1-2H3/t7-,8+/m1/s1.
What are the key properties of (2R)-3-hydroxy-4-[(4S)-4-hydroxyhexyl]-2-methyl-2H-furan-5-one?
(2R)-3-hydroxy-4-[(4S)-4-hydroxyhexyl]-2-methyl-2H-furan-5-one has a molecular weight of 214.26 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-hydroxy-4-[(4S)-4-hydroxyhexyl]-2-methyl-2H-furan-5-one is sourced from PubChem (CID 170988633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).