2-(7-methyltetradecan-7-yl)-2H-furan-5-one

C19H34O2 — CID 129028144

IUPAC2-(7-methyltetradecan-7-yl)-2H-furan-5-one
SMILESCCCCCCCC(C)(CCCCCC)C1C=CC(=O)O1
InChIInChI=1S/C19H34O2/c1-4-6-8-10-12-16-19(3,15-11-9-7-5-2)17-13-14-18(20)21-17/h13-14,17H,4-12,15-16H2,1-3H3
InChIKeyTUWUKMGZFJDXOW-UHFFFAOYSA-N
MW294.48 g/mol
LogP5.81
Rot. Bonds12

About 2-(7-methyltetradecan-7-yl)-2H-furan-5-one

2-(7-methyltetradecan-7-yl)-2H-furan-5-one (PubChem CID 129028144) has the molecular formula C19H34O2 and a molecular weight of 294.48 g/mol. Its IUPAC name is 2-(7-methyltetradecan-7-yl)-2H-furan-5-one.

Molecular Properties

Compound Name2-(7-methyltetradecan-7-yl)-2H-furan-5-one
PubChem CID129028144
Molecular FormulaC19H34O2
Molecular Weight294.48 g/mol
Exact Mass294.26
IUPAC Name2-(7-methyltetradecan-7-yl)-2H-furan-5-one
SMILESCCCCCCCC(C)(CCCCCC)C1C=CC(=O)O1
InChIInChI=1S/C19H34O2/c1-4-6-8-10-12-16-19(3,15-11-9-7-5-2)17-13-14-18(20)21-17/h13-14,17H,4-12,15-16H2,1-3H3
InChIKeyTUWUKMGZFJDXOW-UHFFFAOYSA-N
XLogP5.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.48
LogP ≤ 55.81
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-(7-methyltetradecan-7-yl)-2H-furan-5-one?
The IUPAC name of 2-(7-methyltetradecan-7-yl)-2H-furan-5-one (CID 129028144) is 2-(7-methyltetradecan-7-yl)-2H-furan-5-one.
What is the SMILES notation for 2-(7-methyltetradecan-7-yl)-2H-furan-5-one?
The canonical SMILES for 2-(7-methyltetradecan-7-yl)-2H-furan-5-one is CCCCCCCC(C)(CCCCCC)C1C=CC(=O)O1.
What is the InChIKey of 2-(7-methyltetradecan-7-yl)-2H-furan-5-one?
The InChIKey is TUWUKMGZFJDXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34O2/c1-4-6-8-10-12-16-19(3,15-11-9-7-5-2)17-13-14-18(20)21-17/h13-14,17H,4-12,15-16H2,1-3H3.
What are the key properties of 2-(7-methyltetradecan-7-yl)-2H-furan-5-one?
2-(7-methyltetradecan-7-yl)-2H-furan-5-one has a molecular weight of 294.48 g/mol, XLogP of 5.81, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methyltetradecan-7-yl)-2H-furan-5-one is sourced from PubChem (CID 129028144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).