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

C24H36O4 — CID 10045822

IUPAC(2S)-2-methyl-4-[(Z)-14-[(2S)-2-methyl-5-oxo-2H-furan-4-yl]tetradec-7-enyl]-2H-furan-5-one
SMILESC[C@H]1C=C(CCCCCC/C=C\CCCCCCC2=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/b4-3-/t19-,20-/m0/s1
InChIKeyGYFZMLJVIIRXPP-FZZLMOMWSA-N
MW388.55 g/mol
LogP5.97
Rot. Bonds14

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

(2S)-2-methyl-4-[(Z)-14-[(2S)-2-methyl-5-oxo-2H-furan-4-yl]tetradec-7-enyl]-2H-furan-5-one (PubChem CID 10045822) has the molecular formula C24H36O4 and a molecular weight of 388.55 g/mol. Its IUPAC name is (2S)-2-methyl-4-[(Z)-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-[(Z)-14-[(2S)-2-methyl-5-oxo-2H-furan-4-yl]tetradec-7-enyl]-2H-furan-5-one
PubChem CID10045822
Molecular FormulaC24H36O4
Molecular Weight388.55 g/mol
Exact Mass388.26
IUPAC Name(2S)-2-methyl-4-[(Z)-14-[(2S)-2-methyl-5-oxo-2H-furan-4-yl]tetradec-7-enyl]-2H-furan-5-one
SMILESC[C@H]1C=C(CCCCCC/C=C\CCCCCCC2=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/b4-3-/t19-,20-/m0/s1
InChIKeyGYFZMLJVIIRXPP-FZZLMOMWSA-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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Related Compounds

Octanoic acid, (2E)-3,7-dimethyl-2,6-octadien-1-yl ester
CID 6365696
Hexadecanoic acid, (2E)-3,7-dimethyl-2,6-octadien-1-yl ester
CID 11246350
Epoxymurin-A
CID 5281161
Muricadienin
CID 101949818
Cembratetraene-16,2:19,6-diolide
CID 23815258
Tonkinelin
CID 3083512
3,7,11,15(17)-Cembratetraene-16,2:19,6-diolide
CID 6451060
Nonanoic acid, (2E)-3,7-dimethyl-2,6-octadien-1-yl ester
CID 6437207
Epomusenin A
CID 10507050
Ovatodiolide
CID 38347030
(2S)-4-[(13S)-13-hydroxy-14-[2-[(2S)-2-hydroxydodecoxy]ethoxy]tetradecyl]-2-methyl-2H-furan-5-one
CID 10099194
16-Oxosarcoglaucol Acetate
CID 11384096

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-4-[(Z)-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-[(Z)-14-[(2S)-2-methyl-5-oxo-2H-furan-4-yl]tetradec-7-enyl]-2H-furan-5-one (CID 10045822) is (2S)-2-methyl-4-[(Z)-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-[(Z)-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-[(Z)-14-[(2S)-2-methyl-5-oxo-2H-furan-4-yl]tetradec-7-enyl]-2H-furan-5-one is C[C@H]1C=C(CCCCCC/C=C\CCCCCCC2=C[C@H](C)OC2=O)C(=O)O1.
What is the InChIKey of (2S)-2-methyl-4-[(Z)-14-[(2S)-2-methyl-5-oxo-2H-furan-4-yl]tetradec-7-enyl]-2H-furan-5-one?
The InChIKey is GYFZMLJVIIRXPP-FZZLMOMWSA-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/b4-3-/t19-,20-/m0/s1.
What are the key properties of (2S)-2-methyl-4-[(Z)-14-[(2S)-2-methyl-5-oxo-2H-furan-4-yl]tetradec-7-enyl]-2H-furan-5-one?
(2S)-2-methyl-4-[(Z)-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-[(Z)-14-[(2S)-2-methyl-5-oxo-2H-furan-4-yl]tetradec-7-enyl]-2H-furan-5-one is sourced from PubChem (CID 10045822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).