(2R)-2-[(1R)-1-hydroxyhexyl]-2H-furan-5-one

C10H16O3 — CID 12733520

IUPAC(2R)-2-[(1R)-1-hydroxyhexyl]-2H-furan-5-one
SMILESCCCCC[C@@H](O)[C@H]1C=CC(=O)O1
InChIInChI=1S/C10H16O3/c1-2-3-4-5-8(11)9-6-7-10(12)13-9/h6-9,11H,2-5H2,1H3/t8-,9-/m1/s1
InChIKeyDSYGVFSHAXZXIM-RKDXNWHRSA-N
MW184.24 g/mol
LogP1.41
Rot. Bonds5

About (2R)-2-[(1R)-1-hydroxyhexyl]-2H-furan-5-one

(2R)-2-[(1R)-1-hydroxyhexyl]-2H-furan-5-one (PubChem CID 12733520) has the molecular formula C10H16O3 and a molecular weight of 184.24 g/mol. Its IUPAC name is (2R)-2-[(1R)-1-hydroxyhexyl]-2H-furan-5-one.

Molecular Properties

Compound Name(2R)-2-[(1R)-1-hydroxyhexyl]-2H-furan-5-one
PubChem CID12733520
Molecular FormulaC10H16O3
Molecular Weight184.24 g/mol
Exact Mass184.11
IUPAC Name(2R)-2-[(1R)-1-hydroxyhexyl]-2H-furan-5-one
SMILESCCCCC[C@@H](O)[C@H]1C=CC(=O)O1
InChIInChI=1S/C10H16O3/c1-2-3-4-5-8(11)9-6-7-10(12)13-9/h6-9,11H,2-5H2,1H3/t8-,9-/m1/s1
InChIKeyDSYGVFSHAXZXIM-RKDXNWHRSA-N
XLogP1.41
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[(1R)-1-hydroxyoctyl]-2H-furan-5-one
CID 101421510
(2S)-2-[(E,1S)-1-hydroxydec-4-enyl]-2H-furan-5-one
CID 101053591
(2S)-2-[(4R)-3-methylidene-2-oxoundecan-4-yl]-2H-furan-5-one
CID 56595375
(2S)-2-[(1S,3R)-1-hydroxy-3-methyl-5-oxohexyl]-2H-furan-5-one
CID 135044590
2-(diethoxymethyl)-2H-furan-5-one
CID 10559449
3-hydroxy-2-(2,4,6,8-tetrahydroxytricosyl)-2,3-dihydropyran-6-one
CID 75995977
(2S)-3-ethylsulfanyl-2-[(1S)-1-hydroxyhexyl]-2H-furan-5-one
CID 23259674
1-(dioxiran-3-yl)heptan-1-ol
CID 141086578
(5R)-5-[(1S)-1-hydroxypentadecyl]oxolan-2-one
CID 139039707
3-(1-hydroxytridecyl)-2-methyl-2H-furan-5-one
CID 19385051
(5R)-5-[(1S)-1-hydroxytridecyl]oxolan-2-one
CID 11748091
(4E)-3,6,7-trihydroxy-2-(1-hydroxyhexyl)-2,3,6,7,8,9-hexahydrooxecin-10-one
CID 23928039

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1R)-1-hydroxyhexyl]-2H-furan-5-one?
The IUPAC name of (2R)-2-[(1R)-1-hydroxyhexyl]-2H-furan-5-one (CID 12733520) is (2R)-2-[(1R)-1-hydroxyhexyl]-2H-furan-5-one.
What is the SMILES notation for (2R)-2-[(1R)-1-hydroxyhexyl]-2H-furan-5-one?
The canonical SMILES for (2R)-2-[(1R)-1-hydroxyhexyl]-2H-furan-5-one is CCCCC[C@@H](O)[C@H]1C=CC(=O)O1.
What is the InChIKey of (2R)-2-[(1R)-1-hydroxyhexyl]-2H-furan-5-one?
The InChIKey is DSYGVFSHAXZXIM-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H16O3/c1-2-3-4-5-8(11)9-6-7-10(12)13-9/h6-9,11H,2-5H2,1H3/t8-,9-/m1/s1.
What are the key properties of (2R)-2-[(1R)-1-hydroxyhexyl]-2H-furan-5-one?
(2R)-2-[(1R)-1-hydroxyhexyl]-2H-furan-5-one has a molecular weight of 184.24 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1R)-1-hydroxyhexyl]-2H-furan-5-one is sourced from PubChem (CID 12733520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).