(2R)-3-hydroxy-2-methyl-4-[14-[(2R)-2-methyl-5-oxo-2H-furan-4-yl]tetradecyl]-2H-furan-5-one

C24H38O5 — CID 54688190

IUPAC(2R)-3-hydroxy-2-methyl-4-[14-[(2R)-2-methyl-5-oxo-2H-furan-4-yl]tetradecyl]-2H-furan-5-one
SMILESC[C@@H]1C=C(CCCCCCCCCCCCCCC2=C(O)[C@@H](C)OC2=O)C(=O)O1
InChIInChI=1S/C24H38O5/c1-18-17-20(23(26)28-18)15-13-11-9-7-5-3-4-6-8-10-12-14-16-21-22(25)19(2)29-24(21)27/h17-19,25H,3-16H2,1-2H3/t18-,19-/m1/s1
InChIKeyAOIIBPKSOSMTEV-RTBURBONSA-N
MW406.56 g/mol
LogP6.08
Rot. Bonds15

About (2R)-3-hydroxy-2-methyl-4-[14-[(2R)-2-methyl-5-oxo-2H-furan-4-yl]tetradecyl]-2H-furan-5-one

(2R)-3-hydroxy-2-methyl-4-[14-[(2R)-2-methyl-5-oxo-2H-furan-4-yl]tetradecyl]-2H-furan-5-one (PubChem CID 54688190) has the molecular formula C24H38O5 and a molecular weight of 406.56 g/mol. Its IUPAC name is (2R)-3-hydroxy-2-methyl-4-[14-[(2R)-2-methyl-5-oxo-2H-furan-4-yl]tetradecyl]-2H-furan-5-one.

Molecular Properties

Compound Name(2R)-3-hydroxy-2-methyl-4-[14-[(2R)-2-methyl-5-oxo-2H-furan-4-yl]tetradecyl]-2H-furan-5-one
PubChem CID54688190
Molecular FormulaC24H38O5
Molecular Weight406.56 g/mol
Exact Mass406.27
IUPAC Name(2R)-3-hydroxy-2-methyl-4-[14-[(2R)-2-methyl-5-oxo-2H-furan-4-yl]tetradecyl]-2H-furan-5-one
SMILESC[C@@H]1C=C(CCCCCCCCCCCCCCC2=C(O)[C@@H](C)OC2=O)C(=O)O1
InChIInChI=1S/C24H38O5/c1-18-17-20(23(26)28-18)15-13-11-9-7-5-3-4-6-8-10-12-14-16-21-22(25)19(2)29-24(21)27/h17-19,25H,3-16H2,1-2H3/t18-,19-/m1/s1
InChIKeyAOIIBPKSOSMTEV-RTBURBONSA-N
XLogP6.08
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.56
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

(2S)-2-methyl-4-[14-[(2R)-2-methyl-5-oxo-2H-furan-4-yl]tetradecyl]-2H-furan-5-one
CID 101036422
(2R)-4-heptyl-2-methyl-2H-furan-5-one
CID 10774282
(2S)-4-hexadecyl-2-methyl-2H-furan-5-one
CID 14188599
(2S)-2-methyl-4-[14-[(2S)-2-methyl-5-oxo-2H-furan-4-yl]tetradec-7-enyl]-2H-furan-5-one
CID 162927180
(2R)-2-methyl-4-(5-methylhexyl)-2H-furan-5-one
CID 162984436
(2S)-4-[(15R,16R)-15,16-dihydroxydotriacontyl]-2-methyl-2H-furan-5-one
CID 3083512
(2R)-4-[(Z)-hexacos-17-enyl]-2-methyl-2H-furan-5-one
CID 10939489
2-methyl-4-(7-methylnonyl)-2H-furan-5-one
CID 73240313
(2S)-2-methyl-4-[15-[(2R,3S)-3-tetradecyloxiran-2-yl]pentadecyl]-2H-furan-5-one
CID 101256892
(2S)-4-[(13R)-13-hydroxy-13-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1-hydroxy-13-[(2S)-2-methyl-5-oxo-2H-furan-4-yl]tridecyl]oxolan-2-yl]oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one
CID 101127174
(2R)-4-[12-[(2R,3R)-3-[2-[(2R,3S)-3-[2-[(2R,3R)-3-decyloxiran-2-yl]ethyl]oxiran-2-yl]ethyl]oxiran-2-yl]dodecyl]-2-methyl-2H-furan-5-one
CID 162895039
(2S)-4-[13-hydroxy-13-[5-(1-hydroxytridecyl)oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one
CID 101218919

Frequently Asked Questions

What is the IUPAC name of (2R)-3-hydroxy-2-methyl-4-[14-[(2R)-2-methyl-5-oxo-2H-furan-4-yl]tetradecyl]-2H-furan-5-one?
The IUPAC name of (2R)-3-hydroxy-2-methyl-4-[14-[(2R)-2-methyl-5-oxo-2H-furan-4-yl]tetradecyl]-2H-furan-5-one (CID 54688190) is (2R)-3-hydroxy-2-methyl-4-[14-[(2R)-2-methyl-5-oxo-2H-furan-4-yl]tetradecyl]-2H-furan-5-one.
What is the SMILES notation for (2R)-3-hydroxy-2-methyl-4-[14-[(2R)-2-methyl-5-oxo-2H-furan-4-yl]tetradecyl]-2H-furan-5-one?
The canonical SMILES for (2R)-3-hydroxy-2-methyl-4-[14-[(2R)-2-methyl-5-oxo-2H-furan-4-yl]tetradecyl]-2H-furan-5-one is C[C@@H]1C=C(CCCCCCCCCCCCCCC2=C(O)[C@@H](C)OC2=O)C(=O)O1.
What is the InChIKey of (2R)-3-hydroxy-2-methyl-4-[14-[(2R)-2-methyl-5-oxo-2H-furan-4-yl]tetradecyl]-2H-furan-5-one?
The InChIKey is AOIIBPKSOSMTEV-RTBURBONSA-N. The full InChI is InChI=1S/C24H38O5/c1-18-17-20(23(26)28-18)15-13-11-9-7-5-3-4-6-8-10-12-14-16-21-22(25)19(2)29-24(21)27/h17-19,25H,3-16H2,1-2H3/t18-,19-/m1/s1.
What are the key properties of (2R)-3-hydroxy-2-methyl-4-[14-[(2R)-2-methyl-5-oxo-2H-furan-4-yl]tetradecyl]-2H-furan-5-one?
(2R)-3-hydroxy-2-methyl-4-[14-[(2R)-2-methyl-5-oxo-2H-furan-4-yl]tetradecyl]-2H-furan-5-one has a molecular weight of 406.56 g/mol, XLogP of 6.08, 15 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-hydroxy-2-methyl-4-[14-[(2R)-2-methyl-5-oxo-2H-furan-4-yl]tetradecyl]-2H-furan-5-one is sourced from PubChem (CID 54688190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).