2,7-diethyl-8,8-dimethylnonanoic acid

C15H30O2 — CID 175153792

IUPAC2,7-diethyl-8,8-dimethylnonanoic acid
SMILESCCC(CCCCC(CC)C(C)(C)C)C(=O)O
InChIInChI=1S/C15H30O2/c1-6-12(14(16)17)10-8-9-11-13(7-2)15(3,4)5/h12-13H,6-11H2,1-5H3,(H,16,17)
InChIKeyPVWVFSBXGDVKDJ-UHFFFAOYSA-N
MW242.40 g/mol
LogP4.73
Rot. Bonds8

About 2,7-diethyl-8,8-dimethylnonanoic acid

2,7-diethyl-8,8-dimethylnonanoic acid (PubChem CID 175153792) has the molecular formula C15H30O2 and a molecular weight of 242.40 g/mol. Its IUPAC name is 2,7-diethyl-8,8-dimethylnonanoic acid.

Molecular Properties

Compound Name2,7-diethyl-8,8-dimethylnonanoic acid
PubChem CID175153792
Molecular FormulaC15H30O2
Molecular Weight242.40 g/mol
Exact Mass242.22
IUPAC Name2,7-diethyl-8,8-dimethylnonanoic acid
SMILESCCC(CCCCC(CC)C(C)(C)C)C(=O)O
InChIInChI=1S/C15H30O2/c1-6-12(14(16)17)10-8-9-11-13(7-2)15(3,4)5/h12-13H,6-11H2,1-5H3,(H,16,17)
InChIKeyPVWVFSBXGDVKDJ-UHFFFAOYSA-N
XLogP4.73
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.40
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-tert-butyl-8-ethylnonanedioic acid
CID 175160152
2-ethyloctanoic acid;hexakis(hexane)
CID 173225823
(2R)-2-ethyldodecanoic acid
CID 98093060
cobalt;bis(2-ethylhexanoic acid)
CID 85390748
2-ethylhexanoic acid;niobium
CID 87060397
2-ethylhexanoic acid;palladium(2+)
CID 18629949
tetrakis(2-ethylhexanoic acid);hafnium
CID 140535448
copper 2-ethylhexanoic acid
CID 54604905
bis(2-ethylhexanoic acid);manganese(3+)
CID 175736722
bis(2-ethylhexanoic acid);manganese
CID 173402583
2-ethylhexadecanedioic acid
CID 88785674
6-amino-2-ethylhexanoic acid;azane
CID 88821488

Frequently Asked Questions

What is the IUPAC name of 2,7-diethyl-8,8-dimethylnonanoic acid?
The IUPAC name of 2,7-diethyl-8,8-dimethylnonanoic acid (CID 175153792) is 2,7-diethyl-8,8-dimethylnonanoic acid.
What is the SMILES notation for 2,7-diethyl-8,8-dimethylnonanoic acid?
The canonical SMILES for 2,7-diethyl-8,8-dimethylnonanoic acid is CCC(CCCCC(CC)C(C)(C)C)C(=O)O.
What is the InChIKey of 2,7-diethyl-8,8-dimethylnonanoic acid?
The InChIKey is PVWVFSBXGDVKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O2/c1-6-12(14(16)17)10-8-9-11-13(7-2)15(3,4)5/h12-13H,6-11H2,1-5H3,(H,16,17).
What are the key properties of 2,7-diethyl-8,8-dimethylnonanoic acid?
2,7-diethyl-8,8-dimethylnonanoic acid has a molecular weight of 242.40 g/mol, XLogP of 4.73, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-diethyl-8,8-dimethylnonanoic acid is sourced from PubChem (CID 175153792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).