7,7-diethylnonyl acetate

C15H30O2 — CID 161418665

IUPAC7,7-diethylnonyl acetate
SMILESCCC(CC)(CC)CCCCCCOC(C)=O
InChIInChI=1S/C15H30O2/c1-5-15(6-2,7-3)12-10-8-9-11-13-17-14(4)16/h5-13H2,1-4H3
InChIKeyVWKXQGVKXJVWOW-UHFFFAOYSA-N
MW242.40 g/mol
LogP4.72
Rot. Bonds10

About 7,7-diethylnonyl acetate

7,7-diethylnonyl acetate (PubChem CID 161418665) has the molecular formula C15H30O2 and a molecular weight of 242.40 g/mol. Its IUPAC name is 7,7-diethylnonyl acetate.

Molecular Properties

Compound Name7,7-diethylnonyl acetate
PubChem CID161418665
Molecular FormulaC15H30O2
Molecular Weight242.40 g/mol
Exact Mass242.22
IUPAC Name7,7-diethylnonyl acetate
SMILESCCC(CC)(CC)CCCCCCOC(C)=O
InChIInChI=1S/C15H30O2/c1-5-15(6-2,7-3)12-10-8-9-11-13-17-14(4)16/h5-13H2,1-4H3
InChIKeyVWKXQGVKXJVWOW-UHFFFAOYSA-N
XLogP4.72
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.40
LogP ≤ 54.72
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

4,4-diethylhexyl acetate
CID 150852527
11-acetyloxyundecyl acetate
CID 87784419
2-(4-acetyloxybutyl)-2-ethylpropanedioic acid
CID 122217540
calcium;hydride;octadecyl acetate
CID 174802798
azane;tetradecyl acetate
CID 87432458
alumane;hexyl acetate
CID 174832794
CID 162323537
CID 162323537
2,2-bis(4-acetyloxybutyl)propanedioic acid
CID 122217541
4,4-dimethylhexyl acetate
CID 90020632
ethanol;hexadecyl acetate
CID 87919670
6-ethoxyhexyl acetate
CID 123617931
magnesium;hydride;nonyl acetate
CID 174803218

Frequently Asked Questions

What is the IUPAC name of 7,7-diethylnonyl acetate?
The IUPAC name of 7,7-diethylnonyl acetate (CID 161418665) is 7,7-diethylnonyl acetate.
What is the SMILES notation for 7,7-diethylnonyl acetate?
The canonical SMILES for 7,7-diethylnonyl acetate is CCC(CC)(CC)CCCCCCOC(C)=O.
What is the InChIKey of 7,7-diethylnonyl acetate?
The InChIKey is VWKXQGVKXJVWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O2/c1-5-15(6-2,7-3)12-10-8-9-11-13-17-14(4)16/h5-13H2,1-4H3.
What are the key properties of 7,7-diethylnonyl acetate?
7,7-diethylnonyl acetate has a molecular weight of 242.40 g/mol, XLogP of 4.72, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-diethylnonyl acetate is sourced from PubChem (CID 161418665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).