(Z)-5-formyloxy-3,4-dimethylpent-3-enoic acid

C8H12O4 — CID 157349510

IUPAC(Z)-5-formyloxy-3,4-dimethylpent-3-enoic acid
SMILESC/C(COC=O)=C(\C)CC(=O)O
InChIInChI=1S/C8H12O4/c1-6(3-8(10)11)7(2)4-12-5-9/h5H,3-4H2,1-2H3,(H,10,11)/b7-6-
InChIKeyZDJNCFHRMFUSRG-SREVYHEPSA-N
MW172.18 g/mol
LogP0.97
Rot. Bonds5

About (Z)-5-formyloxy-3,4-dimethylpent-3-enoic acid

(Z)-5-formyloxy-3,4-dimethylpent-3-enoic acid (PubChem CID 157349510) has the molecular formula C8H12O4 and a molecular weight of 172.18 g/mol. Its IUPAC name is (Z)-5-formyloxy-3,4-dimethylpent-3-enoic acid.

Molecular Properties

Compound Name(Z)-5-formyloxy-3,4-dimethylpent-3-enoic acid
PubChem CID157349510
Molecular FormulaC8H12O4
Molecular Weight172.18 g/mol
Exact Mass172.07
IUPAC Name(Z)-5-formyloxy-3,4-dimethylpent-3-enoic acid
SMILESC/C(COC=O)=C(\C)CC(=O)O
InChIInChI=1S/C8H12O4/c1-6(3-8(10)11)7(2)4-12-5-9/h5H,3-4H2,1-2H3,(H,10,11)/b7-6-
InChIKeyZDJNCFHRMFUSRG-SREVYHEPSA-N
XLogP0.97
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-oxopropyl formate
CID 10920454
(Z)-3,4-dimethylhex-3-enoic acid
CID 55301212
ethane-1,1-diol;2-formyloxyacetic acid;1-methoxyethyl 3-oxobutanoate
CID 158964841
4-fluoro-5-methoxy-3-methyl-5-oxopent-3-enoic acid
CID 90022947
propanedioic acid;terbium
CID 87785742
2-[2-(carboxymethoxy)ethenoxy]acetic acid
CID 91328035
3-oxobutanoic acid
CID 96
(3E)-3,4,5-trimethylhexa-3,5-dienoic acid
CID 102218972
2-formyloxyacetic acid;(2-methylphenyl)-phenylmethanone
CID 175031388
methanol;propanedioic acid
CID 87156965
3,4-dimethyltetradec-3-enoic acid
CID 141356263
[(2Z,4Z)-2-methylhexa-2,4-dienyl] formate
CID 145290933

Frequently Asked Questions

What is the IUPAC name of (Z)-5-formyloxy-3,4-dimethylpent-3-enoic acid?
The IUPAC name of (Z)-5-formyloxy-3,4-dimethylpent-3-enoic acid (CID 157349510) is (Z)-5-formyloxy-3,4-dimethylpent-3-enoic acid.
What is the SMILES notation for (Z)-5-formyloxy-3,4-dimethylpent-3-enoic acid?
The canonical SMILES for (Z)-5-formyloxy-3,4-dimethylpent-3-enoic acid is C/C(COC=O)=C(\C)CC(=O)O.
What is the InChIKey of (Z)-5-formyloxy-3,4-dimethylpent-3-enoic acid?
The InChIKey is ZDJNCFHRMFUSRG-SREVYHEPSA-N. The full InChI is InChI=1S/C8H12O4/c1-6(3-8(10)11)7(2)4-12-5-9/h5H,3-4H2,1-2H3,(H,10,11)/b7-6-.
What are the key properties of (Z)-5-formyloxy-3,4-dimethylpent-3-enoic acid?
(Z)-5-formyloxy-3,4-dimethylpent-3-enoic acid has a molecular weight of 172.18 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-formyloxy-3,4-dimethylpent-3-enoic acid is sourced from PubChem (CID 157349510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).