2-propylpentanoic acid;2-propylpent-2-enoic acid

C16H30O4 — CID 161489381

IUPAC2-propylpentanoic acid;2-propylpent-2-enoic acid
SMILESCCC=C(CCC)C(=O)O.CCCC(CCC)C(=O)O
InChIInChI=1S/C8H16O2.C8H14O2/c2*1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10);5H,3-4,6H2,1-2H3,(H,9,10)
InChIKeyWFKCCMYKKDIYCI-UHFFFAOYSA-N
MW286.41 g/mol
LogP4.49
Rot. Bonds9

About 2-propylpentanoic acid;2-propylpent-2-enoic acid

2-propylpentanoic acid;2-propylpent-2-enoic acid (PubChem CID 161489381) has the molecular formula C16H30O4 and a molecular weight of 286.41 g/mol. Its IUPAC name is 2-propylpentanoic acid;2-propylpent-2-enoic acid.

Molecular Properties

Compound Name2-propylpentanoic acid;2-propylpent-2-enoic acid
PubChem CID161489381
Molecular FormulaC16H30O4
Molecular Weight286.41 g/mol
Exact Mass286.21
IUPAC Name2-propylpentanoic acid;2-propylpent-2-enoic acid
SMILESCCC=C(CCC)C(=O)O.CCCC(CCC)C(=O)O
InChIInChI=1S/C8H16O2.C8H14O2/c2*1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10);5H,3-4,6H2,1-2H3,(H,9,10)
InChIKeyWFKCCMYKKDIYCI-UHFFFAOYSA-N
XLogP4.49
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.41
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

formic acid;2-propylpentanoic acid
CID 87531584
2-(3-hydroxypropyl)pent-2-enoic acid
CID 88785343
phosphane;2-propylhexanoic acid
CID 87429538
λ2-stannane;2-propylhexanoic acid
CID 174232814
disodium;hydride;hydron;bis(2-propylpentanoic acid)
CID 173312027
calcium;sodium;hydride;2-propylpentanoic acid
CID 174695828
2-ethyl-6-propylheptanedioic acid
CID 154140899
2-propylhexadecanoic acid
CID 10040360
2-propylheptadecanoic acid
CID 22251985
2-propylhex-2-enedioic acid
CID 163107431
(2E)-2-(hydroxymethylidene)pentanoic acid
CID 88655621
2-ethylpentanoic acid
CID 158993232

Frequently Asked Questions

What is the IUPAC name of 2-propylpentanoic acid;2-propylpent-2-enoic acid?
The IUPAC name of 2-propylpentanoic acid;2-propylpent-2-enoic acid (CID 161489381) is 2-propylpentanoic acid;2-propylpent-2-enoic acid.
What is the SMILES notation for 2-propylpentanoic acid;2-propylpent-2-enoic acid?
The canonical SMILES for 2-propylpentanoic acid;2-propylpent-2-enoic acid is CCC=C(CCC)C(=O)O.CCCC(CCC)C(=O)O.
What is the InChIKey of 2-propylpentanoic acid;2-propylpent-2-enoic acid?
The InChIKey is WFKCCMYKKDIYCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2.C8H14O2/c2*1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10);5H,3-4,6H2,1-2H3,(H,9,10).
What are the key properties of 2-propylpentanoic acid;2-propylpent-2-enoic acid?
2-propylpentanoic acid;2-propylpent-2-enoic acid has a molecular weight of 286.41 g/mol, XLogP of 4.49, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propylpentanoic acid;2-propylpent-2-enoic acid is sourced from PubChem (CID 161489381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).