2,2,4-trimethylpent-4-enoic acid

C8H14O2 — CID 10920617

IUPAC2,2,4-trimethylpent-4-enoic acid
SMILESC=C(C)CC(C)(C)C(=O)O
InChIInChI=1S/C8H14O2/c1-6(2)5-8(3,4)7(9)10/h1,5H2,2-4H3,(H,9,10)
InChIKeyXFVFEDRZGWLRRP-UHFFFAOYSA-N
MW142.20 g/mol
LogP2.06
Rot. Bonds3

About 2,2,4-trimethylpent-4-enoic acid

2,2,4-trimethylpent-4-enoic acid (PubChem CID 10920617) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 2,2,4-trimethylpent-4-enoic acid.

Molecular Properties

Compound Name2,2,4-trimethylpent-4-enoic acid
PubChem CID10920617
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name2,2,4-trimethylpent-4-enoic acid
SMILESC=C(C)CC(C)(C)C(=O)O
InChIInChI=1S/C8H14O2/c1-6(2)5-8(3,4)7(9)10/h1,5H2,2-4H3,(H,9,10)
InChIKeyXFVFEDRZGWLRRP-UHFFFAOYSA-N
XLogP2.06
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-Methylpent-4-enoic acid
CID 5282648
3-Isopropyl-3-butenoic acid
CID 443528
5-Heptenoic acid, 2,6-dimethyl-2-vinyl-
CID 567589
2,4-Dimethylpent-4-enoic acid
CID 12216735
2,2-Dimethylhept-6-enoic acid
CID 15680403
(2S)-2,4-Dimethyl-4-pentenoic acid
CID 25058579
(2R)-2,4-dimethylpent-4-enoic acid
CID 59093560
2,2-Dimethyl-5-hexenoic acid
CID 10582886
3,3-Dimethylhex-5-enoic acid
CID 12676510
1-Methyl-3-methylidenecyclopentane-1-carboxylic acid
CID 18614396
1-Methyl-3-methylidenecyclobutane-1-carboxylic acid
CID 20614517
2,4-Dimethyl-5-hexenoic acid
CID 12892714

Frequently Asked Questions

What is the IUPAC name of 2,2,4-trimethylpent-4-enoic acid?
The IUPAC name of 2,2,4-trimethylpent-4-enoic acid (CID 10920617) is 2,2,4-trimethylpent-4-enoic acid.
What is the SMILES notation for 2,2,4-trimethylpent-4-enoic acid?
The canonical SMILES for 2,2,4-trimethylpent-4-enoic acid is C=C(C)CC(C)(C)C(=O)O.
What is the InChIKey of 2,2,4-trimethylpent-4-enoic acid?
The InChIKey is XFVFEDRZGWLRRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-6(2)5-8(3,4)7(9)10/h1,5H2,2-4H3,(H,9,10).
What are the key properties of 2,2,4-trimethylpent-4-enoic acid?
2,2,4-trimethylpent-4-enoic acid has a molecular weight of 142.20 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trimethylpent-4-enoic acid is sourced from PubChem (CID 10920617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).