(Z)-3,4-dimethylhex-3-enoic acid

C8H14O2 — CID 55301212

IUPAC(Z)-3,4-dimethylhex-3-enoic acid
SMILESCC/C(C)=C(/C)CC(=O)O
InChIInChI=1S/C8H14O2/c1-4-6(2)7(3)5-8(9)10/h4-5H2,1-3H3,(H,9,10)/b7-6-
InChIKeyMMWHMSCZTCZHKJ-SREVYHEPSA-N
MW142.20 g/mol
LogP2.21
Rot. Bonds3

About (Z)-3,4-dimethylhex-3-enoic acid

(Z)-3,4-dimethylhex-3-enoic acid (PubChem CID 55301212) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is (Z)-3,4-dimethylhex-3-enoic acid.

Molecular Properties

Compound Name(Z)-3,4-dimethylhex-3-enoic acid
PubChem CID55301212
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name(Z)-3,4-dimethylhex-3-enoic acid
SMILESCC/C(C)=C(/C)CC(=O)O
InChIInChI=1S/C8H14O2/c1-4-6(2)7(3)5-8(9)10/h4-5H2,1-3H3,(H,9,10)/b7-6-
InChIKeyMMWHMSCZTCZHKJ-SREVYHEPSA-N
XLogP2.21
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 ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-3,4-dimethylhex-3-enoic acid?
The IUPAC name of (Z)-3,4-dimethylhex-3-enoic acid (CID 55301212) is (Z)-3,4-dimethylhex-3-enoic acid.
What is the SMILES notation for (Z)-3,4-dimethylhex-3-enoic acid?
The canonical SMILES for (Z)-3,4-dimethylhex-3-enoic acid is CC/C(C)=C(/C)CC(=O)O.
What is the InChIKey of (Z)-3,4-dimethylhex-3-enoic acid?
The InChIKey is MMWHMSCZTCZHKJ-SREVYHEPSA-N. The full InChI is InChI=1S/C8H14O2/c1-4-6(2)7(3)5-8(9)10/h4-5H2,1-3H3,(H,9,10)/b7-6-.
What are the key properties of (Z)-3,4-dimethylhex-3-enoic acid?
(Z)-3,4-dimethylhex-3-enoic acid has a molecular weight of 142.20 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3,4-dimethylhex-3-enoic acid is sourced from PubChem (CID 55301212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).