(2R)-2-[(2S)-2-hydroxybutyl]-3-methoxy-2H-furan-5-one

C9H14O4 — CID 101474326

IUPAC(2R)-2-[(2S)-2-hydroxybutyl]-3-methoxy-2H-furan-5-one
SMILESCC[C@H](O)C[C@H]1OC(=O)C=C1OC
InChIInChI=1S/C9H14O4/c1-3-6(10)4-8-7(12-2)5-9(11)13-8/h5-6,8,10H,3-4H2,1-2H3/t6-,8+/m0/s1
InChIKeySZLBWIXYZSVWJX-POYBYMJQSA-N
MW186.21 g/mol
LogP0.60
Rot. Bonds4

About (2R)-2-[(2S)-2-hydroxybutyl]-3-methoxy-2H-furan-5-one

(2R)-2-[(2S)-2-hydroxybutyl]-3-methoxy-2H-furan-5-one (PubChem CID 101474326) has the molecular formula C9H14O4 and a molecular weight of 186.21 g/mol. Its IUPAC name is (2R)-2-[(2S)-2-hydroxybutyl]-3-methoxy-2H-furan-5-one.

Molecular Properties

Compound Name(2R)-2-[(2S)-2-hydroxybutyl]-3-methoxy-2H-furan-5-one
PubChem CID101474326
Molecular FormulaC9H14O4
Molecular Weight186.21 g/mol
Exact Mass186.09
IUPAC Name(2R)-2-[(2S)-2-hydroxybutyl]-3-methoxy-2H-furan-5-one
SMILESCC[C@H](O)C[C@H]1OC(=O)C=C1OC
InChIInChI=1S/C9H14O4/c1-3-6(10)4-8-7(12-2)5-9(11)13-8/h5-6,8,10H,3-4H2,1-2H3/t6-,8+/m0/s1
InChIKeySZLBWIXYZSVWJX-POYBYMJQSA-N
XLogP0.60
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-((1S)-1-hydroxypentyl)-4-methoxy-2,3-dihydropyran-6-one
CID 182201
Botryolide E
CID 53324482
6-(1-Hydroxy-pentyl)-4-methoxy-5,6-dihydro-pyran-2-one
CID 12213835
6-[(1R)-1-Hydroxypentyl]-4-methoxy-2H-pyran-2-one
CID 23872095
5,6-dihydro-4-methoxy-6-hydroxymethyl-2H-pyran-2-one
CID 56773906
Annularin G
CID 11412791
6-(1,2-Dihydroxypentyl)pyran-2-one
CID 74947856
(2S)-2-[(1S)-1-hydroxypentyl]-4-propoxy-2,3-dihydropyran-6-one
CID 155542184
2-(Hydroxymethyl)-4-methoxy-2,3-dihydropyran-6-one
CID 24823870
6-[(1'R,2'S)-dihydroxypentyl]-2H-pyran-2-one
CID 44195971
Scirpyrone C
CID 57409273
Xylogiblactone B
CID 101882366

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2S)-2-hydroxybutyl]-3-methoxy-2H-furan-5-one?
The IUPAC name of (2R)-2-[(2S)-2-hydroxybutyl]-3-methoxy-2H-furan-5-one (CID 101474326) is (2R)-2-[(2S)-2-hydroxybutyl]-3-methoxy-2H-furan-5-one.
What is the SMILES notation for (2R)-2-[(2S)-2-hydroxybutyl]-3-methoxy-2H-furan-5-one?
The canonical SMILES for (2R)-2-[(2S)-2-hydroxybutyl]-3-methoxy-2H-furan-5-one is CC[C@H](O)C[C@H]1OC(=O)C=C1OC.
What is the InChIKey of (2R)-2-[(2S)-2-hydroxybutyl]-3-methoxy-2H-furan-5-one?
The InChIKey is SZLBWIXYZSVWJX-POYBYMJQSA-N. The full InChI is InChI=1S/C9H14O4/c1-3-6(10)4-8-7(12-2)5-9(11)13-8/h5-6,8,10H,3-4H2,1-2H3/t6-,8+/m0/s1.
What are the key properties of (2R)-2-[(2S)-2-hydroxybutyl]-3-methoxy-2H-furan-5-one?
(2R)-2-[(2S)-2-hydroxybutyl]-3-methoxy-2H-furan-5-one has a molecular weight of 186.21 g/mol, XLogP of 0.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2S)-2-hydroxybutyl]-3-methoxy-2H-furan-5-one is sourced from PubChem (CID 101474326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).