4-(1-hydroxytridecyl)-2H-furan-5-one

C17H30O3 — CID 15170115

IUPAC4-(1-hydroxytridecyl)-2H-furan-5-one
SMILESCCCCCCCCCCCCC(O)C1=CCOC1=O
InChIInChI=1S/C17H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-16(18)15-13-14-20-17(15)19/h13,16,18H,2-12,14H2,1H3
InChIKeyLEAQBZTXOXOKOY-UHFFFAOYSA-N
MW282.42 g/mol
LogP4.14
Rot. Bonds12

About 4-(1-hydroxytridecyl)-2H-furan-5-one

4-(1-hydroxytridecyl)-2H-furan-5-one (PubChem CID 15170115) has the molecular formula C17H30O3 and a molecular weight of 282.42 g/mol. Its IUPAC name is 4-(1-hydroxytridecyl)-2H-furan-5-one.

Molecular Properties

Compound Name4-(1-hydroxytridecyl)-2H-furan-5-one
PubChem CID15170115
Molecular FormulaC17H30O3
Molecular Weight282.42 g/mol
Exact Mass282.22
IUPAC Name4-(1-hydroxytridecyl)-2H-furan-5-one
SMILESCCCCCCCCCCCCC(O)C1=CCOC1=O
InChIInChI=1S/C17H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-16(18)15-13-14-20-17(15)19/h13,16,18H,2-12,14H2,1H3
InChIKeyLEAQBZTXOXOKOY-UHFFFAOYSA-N
XLogP4.14
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.42
LogP ≤ 54.14
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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Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxytridecyl)-2H-furan-5-one?
The IUPAC name of 4-(1-hydroxytridecyl)-2H-furan-5-one (CID 15170115) is 4-(1-hydroxytridecyl)-2H-furan-5-one.
What is the SMILES notation for 4-(1-hydroxytridecyl)-2H-furan-5-one?
The canonical SMILES for 4-(1-hydroxytridecyl)-2H-furan-5-one is CCCCCCCCCCCCC(O)C1=CCOC1=O.
What is the InChIKey of 4-(1-hydroxytridecyl)-2H-furan-5-one?
The InChIKey is LEAQBZTXOXOKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-16(18)15-13-14-20-17(15)19/h13,16,18H,2-12,14H2,1H3.
What are the key properties of 4-(1-hydroxytridecyl)-2H-furan-5-one?
4-(1-hydroxytridecyl)-2H-furan-5-one has a molecular weight of 282.42 g/mol, XLogP of 4.14, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxytridecyl)-2H-furan-5-one is sourced from PubChem (CID 15170115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).