(5S)-4-butyl-5-hydroxy-3-methoxy-5-methylfuran-2-one

C10H16O4 — CID 163083636

IUPAC(5S)-4-butyl-5-hydroxy-3-methoxy-5-methylfuran-2-one
SMILESCCCCC1=C(OC)C(=O)O[C@]1(C)O
InChIInChI=1S/C10H16O4/c1-4-5-6-7-8(13-3)9(11)14-10(7,2)12/h12H,4-6H2,1-3H3/t10-/m0/s1
InChIKeyIWSCEYNNZLAWIU-JTQLQIEISA-N
MW200.23 g/mol
LogP1.34
Rot. Bonds4

About (5S)-4-butyl-5-hydroxy-3-methoxy-5-methylfuran-2-one

(5S)-4-butyl-5-hydroxy-3-methoxy-5-methylfuran-2-one (PubChem CID 163083636) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is (5S)-4-butyl-5-hydroxy-3-methoxy-5-methylfuran-2-one.

Molecular Properties

Compound Name(5S)-4-butyl-5-hydroxy-3-methoxy-5-methylfuran-2-one
PubChem CID163083636
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name(5S)-4-butyl-5-hydroxy-3-methoxy-5-methylfuran-2-one
SMILESCCCCC1=C(OC)C(=O)O[C@]1(C)O
InChIInChI=1S/C10H16O4/c1-4-5-6-7-8(13-3)9(11)14-10(7,2)12/h12H,4-6H2,1-3H3/t10-/m0/s1
InChIKeyIWSCEYNNZLAWIU-JTQLQIEISA-N
XLogP1.34
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-butyl-6-hydroxy-2,2-dimethyl-1,3-dioxin-4-one
CID 102339797
2-butyl-2-hydroxy-1,3-dioxolane-4,5-dione
CID 139899991
2-hydroxy-2-(1-hydroxypentyl)-1,3-dioxolane-4,5-dione
CID 156716160
5-hydroxy-5-methyl-4-octylfuran-2-one
CID 15233113
2-(2-hydroxyethyl)-3,6-dimethoxy-5-pentylcyclohexa-2,5-diene-1,4-dione
CID 131717988
5-butyl-2,3-dimethoxycyclohexa-2,5-diene-1,4-dione
CID 24973737
sodium 5-butyl-2,2-dimethyl-6-oxo-1,3-dioxin-4-olate
CID 102339796
5-hexyl-5-hydroxy-4-methoxyfuran-2-one
CID 11435840
3-butyl-5-(4-fluorophenyl)-5-hydroxy-4-iodofuran-2-one
CID 11485684
2-heptyl-3,4,7-trihydroxy-3,7-dimethyl-2,4-dihydrofuro[3,4-b]pyran-5-one
CID 162815841
4-hydroxy-4-pentyl-1,3-dioxetan-2-one
CID 142638506
2-butyl-3,4,4-trimethoxycyclobut-2-en-1-one
CID 10375944

Frequently Asked Questions

What is the IUPAC name of (5S)-4-butyl-5-hydroxy-3-methoxy-5-methylfuran-2-one?
The IUPAC name of (5S)-4-butyl-5-hydroxy-3-methoxy-5-methylfuran-2-one (CID 163083636) is (5S)-4-butyl-5-hydroxy-3-methoxy-5-methylfuran-2-one.
What is the SMILES notation for (5S)-4-butyl-5-hydroxy-3-methoxy-5-methylfuran-2-one?
The canonical SMILES for (5S)-4-butyl-5-hydroxy-3-methoxy-5-methylfuran-2-one is CCCCC1=C(OC)C(=O)O[C@]1(C)O.
What is the InChIKey of (5S)-4-butyl-5-hydroxy-3-methoxy-5-methylfuran-2-one?
The InChIKey is IWSCEYNNZLAWIU-JTQLQIEISA-N. The full InChI is InChI=1S/C10H16O4/c1-4-5-6-7-8(13-3)9(11)14-10(7,2)12/h12H,4-6H2,1-3H3/t10-/m0/s1.
What are the key properties of (5S)-4-butyl-5-hydroxy-3-methoxy-5-methylfuran-2-one?
(5S)-4-butyl-5-hydroxy-3-methoxy-5-methylfuran-2-one has a molecular weight of 200.23 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-4-butyl-5-hydroxy-3-methoxy-5-methylfuran-2-one is sourced from PubChem (CID 163083636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).