(Z)-2,3,4-trimethylpent-2-enoic acid

C8H14O2 — CID 59976239

IUPAC(Z)-2,3,4-trimethylpent-2-enoic acid
SMILESC/C(C(=O)O)=C(\C)C(C)C
InChIInChI=1S/C8H14O2/c1-5(2)6(3)7(4)8(9)10/h5H,1-4H3,(H,9,10)/b7-6-
InChIKeyHHLQQQSOSDWBCO-SREVYHEPSA-N
MW142.20 g/mol
LogP2.06
Rot. Bonds2

About (Z)-2,3,4-trimethylpent-2-enoic acid

(Z)-2,3,4-trimethylpent-2-enoic acid (PubChem CID 59976239) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is (Z)-2,3,4-trimethylpent-2-enoic acid.

Molecular Properties

Compound Name(Z)-2,3,4-trimethylpent-2-enoic acid
PubChem CID59976239
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name(Z)-2,3,4-trimethylpent-2-enoic acid
SMILESC/C(C(=O)O)=C(\C)C(C)C
InChIInChI=1S/C8H14O2/c1-5(2)6(3)7(4)8(9)10/h5H,1-4H3,(H,9,10)/b7-6-
InChIKeyHHLQQQSOSDWBCO-SREVYHEPSA-N
XLogP2.06
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2,4,5,6-tetramethylhept-4-en-3-one
CID 159203948
(E)-2,3,4-trimethylhex-2-enoic acid
CID 22726174
(Z)-2,3-dimethylbut-2-enedioic acid
CID 88647549
5-bromo-2,3,4-trimethylpent-2-enoic acid
CID 173452571
methyl (E)-2,3,4-trimethylpent-2-enoate
CID 122645067
(4E)-2,3,4,5,6-pentamethylhepta-2,4-diene
CID 161401294
2,3-dimethylbut-2-enoic acid;propan-2-ol;zirconium
CID 87234043
2,3,4,5,5-pentamethyl-6-methylidenehept-2-enedioic acid
CID 174844739
sodium;(Z)-2,3-dimethylbut-2-enedioic acid;hydride
CID 175588554
2-methylpropanoic acid
CID 173073412
methane;(Z)-2,3,4,5-tetramethylhex-3-ene;(E)-2,3,4,5-tetramethylhex-3-ene
CID 161097810
2-ethoxy-3,4-dimethylpent-2-enoic acid
CID 87806016

Frequently Asked Questions

What is the IUPAC name of (Z)-2,3,4-trimethylpent-2-enoic acid?
The IUPAC name of (Z)-2,3,4-trimethylpent-2-enoic acid (CID 59976239) is (Z)-2,3,4-trimethylpent-2-enoic acid.
What is the SMILES notation for (Z)-2,3,4-trimethylpent-2-enoic acid?
The canonical SMILES for (Z)-2,3,4-trimethylpent-2-enoic acid is C/C(C(=O)O)=C(\C)C(C)C.
What is the InChIKey of (Z)-2,3,4-trimethylpent-2-enoic acid?
The InChIKey is HHLQQQSOSDWBCO-SREVYHEPSA-N. The full InChI is InChI=1S/C8H14O2/c1-5(2)6(3)7(4)8(9)10/h5H,1-4H3,(H,9,10)/b7-6-.
What are the key properties of (Z)-2,3,4-trimethylpent-2-enoic acid?
(Z)-2,3,4-trimethylpent-2-enoic acid has a molecular weight of 142.20 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,3,4-trimethylpent-2-enoic acid is sourced from PubChem (CID 59976239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).