2,2-dimethylhex-5-enoic acid

C8H14O2 — CID 10582886

IUPAC2,2-dimethylhex-5-enoic acid
SMILESC=CCCC(C)(C)C(=O)O
InChIInChI=1S/C8H14O2/c1-4-5-6-8(2,3)7(9)10/h4H,1,5-6H2,2-3H3,(H,9,10)
InChIKeyLUOVXOGESOTATJ-UHFFFAOYSA-N
MW142.20 g/mol
LogP2.06
Rot. Bonds4

About 2,2-dimethylhex-5-enoic acid

2,2-dimethylhex-5-enoic acid (PubChem CID 10582886) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 2,2-dimethylhex-5-enoic acid.

Molecular Properties

Compound Name2,2-dimethylhex-5-enoic acid
PubChem CID10582886
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name2,2-dimethylhex-5-enoic acid
SMILESC=CCCC(C)(C)C(=O)O
InChIInChI=1S/C8H14O2/c1-4-5-6-8(2,3)7(9)10/h4H,1,5-6H2,2-3H3,(H,9,10)
InChIKeyLUOVXOGESOTATJ-UHFFFAOYSA-N
XLogP2.06
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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

(+-)-2-n-Propyl-4-pentenoic acid
CID 104896
1-Methylcyclohex-3-ene-1-carboxylic acid
CID 86046
2,2-Dimethyl-4-pentenoic acid
CID 140065
(3Z)-2-Propylpent-3-enoic acid
CID 24892812
2-(2-Methylpropyl)pent-4-enoic acid
CID 13010743
(3E)-2-propylpent-3-enoic acid
CID 6439747
5-Heptenoic acid, 2,6-dimethyl-2-vinyl-
CID 567589
3,3-Dimethylpent-4-enoic acid
CID 10630499
2-Methyl-5-hexenoic acid
CID 10701854
2,2-Dimethylhept-6-enoic acid
CID 15680403
1-(Prop-2-en-1-yl)cyclobutane-1-carboxylic acid
CID 54460225
2,2-Diethylpent-4-enoic acid
CID 71374933

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylhex-5-enoic acid?
The IUPAC name of 2,2-dimethylhex-5-enoic acid (CID 10582886) is 2,2-dimethylhex-5-enoic acid.
What is the SMILES notation for 2,2-dimethylhex-5-enoic acid?
The canonical SMILES for 2,2-dimethylhex-5-enoic acid is C=CCCC(C)(C)C(=O)O.
What is the InChIKey of 2,2-dimethylhex-5-enoic acid?
The InChIKey is LUOVXOGESOTATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-4-5-6-8(2,3)7(9)10/h4H,1,5-6H2,2-3H3,(H,9,10).
What are the key properties of 2,2-dimethylhex-5-enoic acid?
2,2-dimethylhex-5-enoic acid has a molecular weight of 142.20 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylhex-5-enoic acid is sourced from PubChem (CID 10582886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).