2-butyl-5-methyl-4-propyloctanoic acid

C16H32O2 — CID 151741912

IUPAC2-butyl-5-methyl-4-propyloctanoic acid
SMILESCCCCC(CC(CCC)C(C)CCC)C(=O)O
InChIInChI=1S/C16H32O2/c1-5-8-11-15(16(17)18)12-14(10-7-3)13(4)9-6-2/h13-15H,5-12H2,1-4H3,(H,17,18)
InChIKeyRMSFNDLOCVZCDG-UHFFFAOYSA-N
MW256.43 g/mol
LogP5.12
Rot. Bonds11

About 2-butyl-5-methyl-4-propyloctanoic acid

2-butyl-5-methyl-4-propyloctanoic acid (PubChem CID 151741912) has the molecular formula C16H32O2 and a molecular weight of 256.43 g/mol. Its IUPAC name is 2-butyl-5-methyl-4-propyloctanoic acid.

Molecular Properties

Compound Name2-butyl-5-methyl-4-propyloctanoic acid
PubChem CID151741912
Molecular FormulaC16H32O2
Molecular Weight256.43 g/mol
Exact Mass256.24
IUPAC Name2-butyl-5-methyl-4-propyloctanoic acid
SMILESCCCCC(CC(CCC)C(C)CCC)C(=O)O
InChIInChI=1S/C16H32O2/c1-5-8-11-15(16(17)18)12-14(10-7-3)13(4)9-6-2/h13-15H,5-12H2,1-4H3,(H,17,18)
InChIKeyRMSFNDLOCVZCDG-UHFFFAOYSA-N
XLogP5.12
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.43
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-nonyl-4-tridecylpentanedioic acid
CID 87929882
phosphane;2-propylhexanoic acid
CID 87429538
λ2-stannane;2-propylhexanoic acid
CID 174232814
CID 87702087
CID 87702087
2-butyl-4-methylundecanoic acid
CID 170848284
azane;2,7-dibutyloctanedioic acid
CID 174821009
(2R)-2-(2-methyloctyl)hexadecanoic acid
CID 174649727
2-butyl-4-hexyldodecanoic acid
CID 154499879
4-butyl-2-octyldecanoic acid
CID 87603205
2-(2-butyloctyl)pentadecanoic acid
CID 24947833
2-butyl-4-ethyloctanoic acid;nickel
CID 87483186
bis(2-ethylhexanoic acid);manganese(3+)
CID 175736722

Frequently Asked Questions

What is the IUPAC name of 2-butyl-5-methyl-4-propyloctanoic acid?
The IUPAC name of 2-butyl-5-methyl-4-propyloctanoic acid (CID 151741912) is 2-butyl-5-methyl-4-propyloctanoic acid.
What is the SMILES notation for 2-butyl-5-methyl-4-propyloctanoic acid?
The canonical SMILES for 2-butyl-5-methyl-4-propyloctanoic acid is CCCCC(CC(CCC)C(C)CCC)C(=O)O.
What is the InChIKey of 2-butyl-5-methyl-4-propyloctanoic acid?
The InChIKey is RMSFNDLOCVZCDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O2/c1-5-8-11-15(16(17)18)12-14(10-7-3)13(4)9-6-2/h13-15H,5-12H2,1-4H3,(H,17,18).
What are the key properties of 2-butyl-5-methyl-4-propyloctanoic acid?
2-butyl-5-methyl-4-propyloctanoic acid has a molecular weight of 256.43 g/mol, XLogP of 5.12, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5-methyl-4-propyloctanoic acid is sourced from PubChem (CID 151741912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).