10-ethoxy-1-(9H-fluoren-9-yl)-8-methyldecan-1-one

C26H34O2 — CID 66919765

IUPAC10-ethoxy-1-(9H-fluoren-9-yl)-8-methyldecan-1-one
SMILESCCOCCC(C)CCCCCCC(=O)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C26H34O2/c1-3-28-19-18-20(2)12-6-4-5-7-17-25(27)26-23-15-10-8-13-21(23)22-14-9-11-16-24(22)26/h8-11,13-16,20,26H,3-7,12,17-19H2,1-2H3
InChIKeyHVEGXROZHRNBKX-UHFFFAOYSA-N
MW378.56 g/mol
LogP6.77
Rot. Bonds12

About 10-ethoxy-1-(9H-fluoren-9-yl)-8-methyldecan-1-one

10-ethoxy-1-(9H-fluoren-9-yl)-8-methyldecan-1-one (PubChem CID 66919765) has the molecular formula C26H34O2 and a molecular weight of 378.56 g/mol. Its IUPAC name is 10-ethoxy-1-(9H-fluoren-9-yl)-8-methyldecan-1-one.

Molecular Properties

Compound Name10-ethoxy-1-(9H-fluoren-9-yl)-8-methyldecan-1-one
PubChem CID66919765
Molecular FormulaC26H34O2
Molecular Weight378.56 g/mol
Exact Mass378.26
IUPAC Name10-ethoxy-1-(9H-fluoren-9-yl)-8-methyldecan-1-one
SMILESCCOCCC(C)CCCCCCC(=O)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C26H34O2/c1-3-28-19-18-20(2)12-6-4-5-7-17-25(27)26-23-15-10-8-13-21(23)22-14-9-11-16-24(22)26/h8-11,13-16,20,26H,3-7,12,17-19H2,1-2H3
InChIKeyHVEGXROZHRNBKX-UHFFFAOYSA-N
XLogP6.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.56
LogP ≤ 56.77
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 10-ethoxy-1-(9H-fluoren-9-yl)-8-methyldecan-1-one?
The IUPAC name of 10-ethoxy-1-(9H-fluoren-9-yl)-8-methyldecan-1-one (CID 66919765) is 10-ethoxy-1-(9H-fluoren-9-yl)-8-methyldecan-1-one.
What is the SMILES notation for 10-ethoxy-1-(9H-fluoren-9-yl)-8-methyldecan-1-one?
The canonical SMILES for 10-ethoxy-1-(9H-fluoren-9-yl)-8-methyldecan-1-one is CCOCCC(C)CCCCCCC(=O)C1c2ccccc2-c2ccccc21.
What is the InChIKey of 10-ethoxy-1-(9H-fluoren-9-yl)-8-methyldecan-1-one?
The InChIKey is HVEGXROZHRNBKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34O2/c1-3-28-19-18-20(2)12-6-4-5-7-17-25(27)26-23-15-10-8-13-21(23)22-14-9-11-16-24(22)26/h8-11,13-16,20,26H,3-7,12,17-19H2,1-2H3.
What are the key properties of 10-ethoxy-1-(9H-fluoren-9-yl)-8-methyldecan-1-one?
10-ethoxy-1-(9H-fluoren-9-yl)-8-methyldecan-1-one has a molecular weight of 378.56 g/mol, XLogP of 6.77, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-ethoxy-1-(9H-fluoren-9-yl)-8-methyldecan-1-one is sourced from PubChem (CID 66919765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).