5-(2-hydroxytetradecylidene)furan-2-one

C18H30O3 — CID 73080599

IUPAC5-(2-hydroxytetradecylidene)furan-2-one
SMILESCCCCCCCCCCCCC(O)C=C1C=CC(=O)O1
InChIInChI=1S/C18H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-16(19)15-17-13-14-18(20)21-17/h13-16,19H,2-12H2,1H3
InChIKeyYGIVJGMUJAYHJF-UHFFFAOYSA-N
MW294.44 g/mol
LogP4.66
Rot. Bonds12

About 5-(2-hydroxytetradecylidene)furan-2-one

5-(2-hydroxytetradecylidene)furan-2-one (PubChem CID 73080599) has the molecular formula C18H30O3 and a molecular weight of 294.44 g/mol. Its IUPAC name is 5-(2-hydroxytetradecylidene)furan-2-one.

Molecular Properties

Compound Name5-(2-hydroxytetradecylidene)furan-2-one
PubChem CID73080599
Molecular FormulaC18H30O3
Molecular Weight294.44 g/mol
Exact Mass294.22
IUPAC Name5-(2-hydroxytetradecylidene)furan-2-one
SMILESCCCCCCCCCCCCC(O)C=C1C=CC(=O)O1
InChIInChI=1S/C18H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-16(19)15-17-13-14-18(20)21-17/h13-16,19H,2-12H2,1H3
InChIKeyYGIVJGMUJAYHJF-UHFFFAOYSA-N
XLogP4.66
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 54.66
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

(5E)-5-pentylidenefuran-2-one
CID 12716501
furan-2,5-dione;hexadecan-1-amine
CID 118418755
(Z)-undec-2-en-4-ol
CID 14320443
2-hydroxyhexanal;2-hydroxyoctanal
CID 146305584
ethane-1,2-diol;furan-2,5-dione;octadecan-1-amine
CID 174655132
[(2R,3E)-2-hydroxy-3-(5-oxofuran-2-ylidene)propyl] benzoate
CID 102328631
(2S)-2-[(1R)-1-hydroxyoctyl]-2H-furan-5-one
CID 101421510
undec-1-en-3-ol
CID 3015762
(3R)-dec-1-en-3-ol
CID 12619485
heptadec-1-en-3-ol
CID 11858939
(5Z)-5-heptylidene-4-[(E)-3-hydroxyoct-1-enyl]cyclopent-2-en-1-one
CID 70405955
(2R)-2-[(1R)-1-hydroxyhexyl]-2H-furan-5-one
CID 12733520

Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxytetradecylidene)furan-2-one?
The IUPAC name of 5-(2-hydroxytetradecylidene)furan-2-one (CID 73080599) is 5-(2-hydroxytetradecylidene)furan-2-one.
What is the SMILES notation for 5-(2-hydroxytetradecylidene)furan-2-one?
The canonical SMILES for 5-(2-hydroxytetradecylidene)furan-2-one is CCCCCCCCCCCCC(O)C=C1C=CC(=O)O1.
What is the InChIKey of 5-(2-hydroxytetradecylidene)furan-2-one?
The InChIKey is YGIVJGMUJAYHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-16(19)15-17-13-14-18(20)21-17/h13-16,19H,2-12H2,1H3.
What are the key properties of 5-(2-hydroxytetradecylidene)furan-2-one?
5-(2-hydroxytetradecylidene)furan-2-one has a molecular weight of 294.44 g/mol, XLogP of 4.66, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxytetradecylidene)furan-2-one is sourced from PubChem (CID 73080599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).