2-(4-methyldecan-4-yl)-2H-furan-5-one

C15H26O2 — CID 129213274

IUPAC2-(4-methyldecan-4-yl)-2H-furan-5-one
SMILESCCCCCCC(C)(CCC)C1C=CC(=O)O1
InChIInChI=1S/C15H26O2/c1-4-6-7-8-12-15(3,11-5-2)13-9-10-14(16)17-13/h9-10,13H,4-8,11-12H2,1-3H3
InChIKeyNVNAREHKMPYHIS-UHFFFAOYSA-N
MW238.37 g/mol
LogP4.24
Rot. Bonds8

About 2-(4-methyldecan-4-yl)-2H-furan-5-one

2-(4-methyldecan-4-yl)-2H-furan-5-one (PubChem CID 129213274) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 2-(4-methyldecan-4-yl)-2H-furan-5-one.

Molecular Properties

Compound Name2-(4-methyldecan-4-yl)-2H-furan-5-one
PubChem CID129213274
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name2-(4-methyldecan-4-yl)-2H-furan-5-one
SMILESCCCCCCC(C)(CCC)C1C=CC(=O)O1
InChIInChI=1S/C15H26O2/c1-4-6-7-8-12-15(3,11-5-2)13-9-10-14(16)17-13/h9-10,13H,4-8,11-12H2,1-3H3
InChIKeyNVNAREHKMPYHIS-UHFFFAOYSA-N
XLogP4.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.24
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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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyldecan-4-yl)-2H-furan-5-one?
The IUPAC name of 2-(4-methyldecan-4-yl)-2H-furan-5-one (CID 129213274) is 2-(4-methyldecan-4-yl)-2H-furan-5-one.
What is the SMILES notation for 2-(4-methyldecan-4-yl)-2H-furan-5-one?
The canonical SMILES for 2-(4-methyldecan-4-yl)-2H-furan-5-one is CCCCCCC(C)(CCC)C1C=CC(=O)O1.
What is the InChIKey of 2-(4-methyldecan-4-yl)-2H-furan-5-one?
The InChIKey is NVNAREHKMPYHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-4-6-7-8-12-15(3,11-5-2)13-9-10-14(16)17-13/h9-10,13H,4-8,11-12H2,1-3H3.
What are the key properties of 2-(4-methyldecan-4-yl)-2H-furan-5-one?
2-(4-methyldecan-4-yl)-2H-furan-5-one has a molecular weight of 238.37 g/mol, XLogP of 4.24, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyldecan-4-yl)-2H-furan-5-one is sourced from PubChem (CID 129213274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).