2-hydroxy-4-[(1S,2S)-1-hydroxy-2-methylbutyl]-3-methyl-2H-furan-5-one

C10H16O4 — CID 101241954

IUPAC2-hydroxy-4-[(1S,2S)-1-hydroxy-2-methylbutyl]-3-methyl-2H-furan-5-one
SMILESCC[C@H](C)[C@H](O)C1=C(C)C(O)OC1=O
InChIInChI=1S/C10H16O4/c1-4-5(2)8(11)7-6(3)9(12)14-10(7)13/h5,8-9,11-12H,4H2,1-3H3/t5-,8-,9?/m0/s1
InChIKeyVRTCJUXPNAIHPP-RFRSVTRVSA-N
MW200.23 g/mol
LogP0.59
Rot. Bonds3

About 2-hydroxy-4-[(1S,2S)-1-hydroxy-2-methylbutyl]-3-methyl-2H-furan-5-one

2-hydroxy-4-[(1S,2S)-1-hydroxy-2-methylbutyl]-3-methyl-2H-furan-5-one (PubChem CID 101241954) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is 2-hydroxy-4-[(1S,2S)-1-hydroxy-2-methylbutyl]-3-methyl-2H-furan-5-one.

Molecular Properties

Compound Name2-hydroxy-4-[(1S,2S)-1-hydroxy-2-methylbutyl]-3-methyl-2H-furan-5-one
PubChem CID101241954
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name2-hydroxy-4-[(1S,2S)-1-hydroxy-2-methylbutyl]-3-methyl-2H-furan-5-one
SMILESCC[C@H](C)[C@H](O)C1=C(C)C(O)OC1=O
InChIInChI=1S/C10H16O4/c1-4-5(2)8(11)7-6(3)9(12)14-10(7)13/h5,8-9,11-12H,4H2,1-3H3/t5-,8-,9?/m0/s1
InChIKeyVRTCJUXPNAIHPP-RFRSVTRVSA-N
XLogP0.59
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-[(1S,2S)-1-hydroxy-2-methylbutyl]-3-methyl-2H-furan-5-one?
The IUPAC name of 2-hydroxy-4-[(1S,2S)-1-hydroxy-2-methylbutyl]-3-methyl-2H-furan-5-one (CID 101241954) is 2-hydroxy-4-[(1S,2S)-1-hydroxy-2-methylbutyl]-3-methyl-2H-furan-5-one.
What is the SMILES notation for 2-hydroxy-4-[(1S,2S)-1-hydroxy-2-methylbutyl]-3-methyl-2H-furan-5-one?
The canonical SMILES for 2-hydroxy-4-[(1S,2S)-1-hydroxy-2-methylbutyl]-3-methyl-2H-furan-5-one is CC[C@H](C)[C@H](O)C1=C(C)C(O)OC1=O.
What is the InChIKey of 2-hydroxy-4-[(1S,2S)-1-hydroxy-2-methylbutyl]-3-methyl-2H-furan-5-one?
The InChIKey is VRTCJUXPNAIHPP-RFRSVTRVSA-N. The full InChI is InChI=1S/C10H16O4/c1-4-5(2)8(11)7-6(3)9(12)14-10(7)13/h5,8-9,11-12H,4H2,1-3H3/t5-,8-,9?/m0/s1.
What are the key properties of 2-hydroxy-4-[(1S,2S)-1-hydroxy-2-methylbutyl]-3-methyl-2H-furan-5-one?
2-hydroxy-4-[(1S,2S)-1-hydroxy-2-methylbutyl]-3-methyl-2H-furan-5-one has a molecular weight of 200.23 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-[(1S,2S)-1-hydroxy-2-methylbutyl]-3-methyl-2H-furan-5-one is sourced from PubChem (CID 101241954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).