3-tridecyl-3H-furan-2-one

C17H30O2 — CID 19433188

IUPAC3-tridecyl-3H-furan-2-one
SMILESCCCCCCCCCCCCCC1C=COC1=O
InChIInChI=1S/C17H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-14-15-19-17(16)18/h14-16H,2-13H2,1H3
InChIKeyNYRWWHJWQDYATN-UHFFFAOYSA-N
MW266.42 g/mol
LogP5.37
Rot. Bonds12

About 3-tridecyl-3H-furan-2-one

3-tridecyl-3H-furan-2-one (PubChem CID 19433188) has the molecular formula C17H30O2 and a molecular weight of 266.42 g/mol. Its IUPAC name is 3-tridecyl-3H-furan-2-one.

Molecular Properties

Compound Name3-tridecyl-3H-furan-2-one
PubChem CID19433188
Molecular FormulaC17H30O2
Molecular Weight266.42 g/mol
Exact Mass266.22
IUPAC Name3-tridecyl-3H-furan-2-one
SMILESCCCCCCCCCCCCCC1C=COC1=O
InChIInChI=1S/C17H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-14-15-19-17(16)18/h14-16H,2-13H2,1H3
InChIKeyNYRWWHJWQDYATN-UHFFFAOYSA-N
XLogP5.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.42
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-pentoxy-3H-furan-2-one
CID 70212085
6-tridecylcyclohexa-2,4-dien-1-one
CID 141201662
3-nonyloxetane-2,4-dione
CID 87532887
3,6-diheptyl-1,4-dioxane-2,5-dione
CID 14460388
2-pentylcyclopent-3-en-1-one
CID 13168677
4-pentyl-4H-1,3-oxazol-5-one
CID 91113418
3-hexyl-4-methylideneoxolane-2,5-dione
CID 156581153
3-hexyl-2,3-dihydropyran-6-one
CID 134890393
3-dodecyloxetan-2-one
CID 165020567
(3S,4S)-4-nonyl-3-octyloxetan-2-one
CID 146344694
3-hexyloxathiirane 2,2-dioxide
CID 123244013
1,3-dihexylcyclopropene
CID 22621674

Frequently Asked Questions

What is the IUPAC name of 3-tridecyl-3H-furan-2-one?
The IUPAC name of 3-tridecyl-3H-furan-2-one (CID 19433188) is 3-tridecyl-3H-furan-2-one.
What is the SMILES notation for 3-tridecyl-3H-furan-2-one?
The canonical SMILES for 3-tridecyl-3H-furan-2-one is CCCCCCCCCCCCCC1C=COC1=O.
What is the InChIKey of 3-tridecyl-3H-furan-2-one?
The InChIKey is NYRWWHJWQDYATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-14-15-19-17(16)18/h14-16H,2-13H2,1H3.
What are the key properties of 3-tridecyl-3H-furan-2-one?
3-tridecyl-3H-furan-2-one has a molecular weight of 266.42 g/mol, XLogP of 5.37, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tridecyl-3H-furan-2-one is sourced from PubChem (CID 19433188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).