(2S)-2-methyl-4-[14-[(2S)-2-methyl-5-oxo-2H-furan-4-yl]tetradec-7-enyl]-2H-furan-5-one

C24H36O4 — CID 162927180

IUPAC(2S)-2-methyl-4-[14-[(2S)-2-methyl-5-oxo-2H-furan-4-yl]tetradec-7-enyl]-2H-furan-5-one
SMILESC[C@H]1C=C(CCCCCCC=CCCCCCCC2=C[C@H](C)OC2=O)C(=O)O1
InChIInChI=1S/C24H36O4/c1-19-17-21(23(25)27-19)15-13-11-9-7-5-3-4-6-8-10-12-14-16-22-18-20(2)28-24(22)26/h3-4,17-20H,5-16H2,1-2H3/t19-,20-/m0/s1
InChIKeyGYFZMLJVIIRXPP-PMACEKPBSA-N
MW388.55 g/mol
LogP5.97
Rot. Bonds14

About (2S)-2-methyl-4-[14-[(2S)-2-methyl-5-oxo-2H-furan-4-yl]tetradec-7-enyl]-2H-furan-5-one

(2S)-2-methyl-4-[14-[(2S)-2-methyl-5-oxo-2H-furan-4-yl]tetradec-7-enyl]-2H-furan-5-one (PubChem CID 162927180) has the molecular formula C24H36O4 and a molecular weight of 388.55 g/mol. Its IUPAC name is (2S)-2-methyl-4-[14-[(2S)-2-methyl-5-oxo-2H-furan-4-yl]tetradec-7-enyl]-2H-furan-5-one.

Molecular Properties

Compound Name(2S)-2-methyl-4-[14-[(2S)-2-methyl-5-oxo-2H-furan-4-yl]tetradec-7-enyl]-2H-furan-5-one
PubChem CID162927180
Molecular FormulaC24H36O4
Molecular Weight388.55 g/mol
Exact Mass388.26
IUPAC Name(2S)-2-methyl-4-[14-[(2S)-2-methyl-5-oxo-2H-furan-4-yl]tetradec-7-enyl]-2H-furan-5-one
SMILESC[C@H]1C=C(CCCCCCC=CCCCCCCC2=C[C@H](C)OC2=O)C(=O)O1
InChIInChI=1S/C24H36O4/c1-19-17-21(23(25)27-19)15-13-11-9-7-5-3-4-6-8-10-12-14-16-22-18-20(2)28-24(22)26/h3-4,17-20H,5-16H2,1-2H3/t19-,20-/m0/s1
InChIKeyGYFZMLJVIIRXPP-PMACEKPBSA-N
XLogP5.97
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.55
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

(2R)-4-[(Z)-hexacos-17-enyl]-2-methyl-2H-furan-5-one
CID 10939489
(2S)-2-methyl-4-[14-[(2R)-2-methyl-5-oxo-2H-furan-4-yl]tetradecyl]-2H-furan-5-one
CID 101036422
(2S)-4-[(E)-16-[(2S,3S)-3-dodecyloxiran-2-yl]hexadec-13-enyl]-2-methyl-2H-furan-5-one
CID 154496528
(2R)-4-heptyl-2-methyl-2H-furan-5-one
CID 10774282
(2S)-4-hexadecyl-2-methyl-2H-furan-5-one
CID 14188599
4-(12,13-dihydroxydotriacont-16-enyl)-2-methyl-2H-furan-5-one
CID 163015609
4-[(11S,12S,15Z,19Z)-11,12-dihydroxydotriaconta-15,19-dienyl]-2-methyl-2H-furan-5-one
CID 10603239
(2S)-2-methyl-4-[12-[3-[2-[3-[(Z)-tetradec-2-enyl]oxiran-2-yl]ethyl]oxiran-2-yl]dodecyl]-2H-furan-5-one
CID 88860571
4-[10-[(4S,5S)-5-[(3Z,7Z)-icosa-3,7-dienyl]-2,2-dimethyl-1,3-dioxolan-4-yl]decyl]-2-methyl-2H-furan-5-one
CID 10770098
(2R)-2-methyl-4-(5-methylhexyl)-2H-furan-5-one
CID 162984436
(2S)-4-[12-[3-[(Z)-3-methoxyoctadec-6-enyl]oxiran-2-yl]dodecyl]-2-methyl-2H-furan-5-one
CID 52915941
2-methyl-4-(7-methylnonyl)-2H-furan-5-one
CID 73240313

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-4-[14-[(2S)-2-methyl-5-oxo-2H-furan-4-yl]tetradec-7-enyl]-2H-furan-5-one?
The IUPAC name of (2S)-2-methyl-4-[14-[(2S)-2-methyl-5-oxo-2H-furan-4-yl]tetradec-7-enyl]-2H-furan-5-one (CID 162927180) is (2S)-2-methyl-4-[14-[(2S)-2-methyl-5-oxo-2H-furan-4-yl]tetradec-7-enyl]-2H-furan-5-one.
What is the SMILES notation for (2S)-2-methyl-4-[14-[(2S)-2-methyl-5-oxo-2H-furan-4-yl]tetradec-7-enyl]-2H-furan-5-one?
The canonical SMILES for (2S)-2-methyl-4-[14-[(2S)-2-methyl-5-oxo-2H-furan-4-yl]tetradec-7-enyl]-2H-furan-5-one is C[C@H]1C=C(CCCCCCC=CCCCCCCC2=C[C@H](C)OC2=O)C(=O)O1.
What is the InChIKey of (2S)-2-methyl-4-[14-[(2S)-2-methyl-5-oxo-2H-furan-4-yl]tetradec-7-enyl]-2H-furan-5-one?
The InChIKey is GYFZMLJVIIRXPP-PMACEKPBSA-N. The full InChI is InChI=1S/C24H36O4/c1-19-17-21(23(25)27-19)15-13-11-9-7-5-3-4-6-8-10-12-14-16-22-18-20(2)28-24(22)26/h3-4,17-20H,5-16H2,1-2H3/t19-,20-/m0/s1.
What are the key properties of (2S)-2-methyl-4-[14-[(2S)-2-methyl-5-oxo-2H-furan-4-yl]tetradec-7-enyl]-2H-furan-5-one?
(2S)-2-methyl-4-[14-[(2S)-2-methyl-5-oxo-2H-furan-4-yl]tetradec-7-enyl]-2H-furan-5-one has a molecular weight of 388.55 g/mol, XLogP of 5.97, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-4-[14-[(2S)-2-methyl-5-oxo-2H-furan-4-yl]tetradec-7-enyl]-2H-furan-5-one is sourced from PubChem (CID 162927180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).