(Z)-4-oxo-6-propoxyhex-2-enoic acid

C9H14O4 — CID 134452151

IUPAC(Z)-4-oxo-6-propoxyhex-2-enoic acid
SMILESCCCOCCC(=O)/C=C\C(=O)O
InChIInChI=1S/C9H14O4/c1-2-6-13-7-5-8(10)3-4-9(11)12/h3-4H,2,5-7H2,1H3,(H,11,12)/b4-3-
InChIKeyDXGPOZRXHSDWCZ-ARJAWSKDSA-N
MW186.21 g/mol
LogP1.01
Rot. Bonds7

About (Z)-4-oxo-6-propoxyhex-2-enoic acid

(Z)-4-oxo-6-propoxyhex-2-enoic acid (PubChem CID 134452151) has the molecular formula C9H14O4 and a molecular weight of 186.21 g/mol. Its IUPAC name is (Z)-4-oxo-6-propoxyhex-2-enoic acid.

Molecular Properties

Compound Name(Z)-4-oxo-6-propoxyhex-2-enoic acid
PubChem CID134452151
Molecular FormulaC9H14O4
Molecular Weight186.21 g/mol
Exact Mass186.09
IUPAC Name(Z)-4-oxo-6-propoxyhex-2-enoic acid
SMILESCCCOCCC(=O)/C=C\C(=O)O
InChIInChI=1S/C9H14O4/c1-2-6-13-7-5-8(10)3-4-9(11)12/h3-4H,2,5-7H2,1H3,(H,11,12)/b4-3-
InChIKeyDXGPOZRXHSDWCZ-ARJAWSKDSA-N
XLogP1.01
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N-methyl-3-propoxypropanamide
CID 87235290
acetic acid;ethane-1,2-diol;1-propoxypropane
CID 87173369
4-methyl-5-[2-(2-propoxyethoxy)ethoxy]pent-2-enoic acid
CID 91252711
(Z)-4-oxo-4-[2-[2-(2-propoxyethoxy)ethyl]hydrazinyl]oxybut-2-enoic acid
CID 122650241
3-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]propanamide
CID 138616319
3-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;3-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 160630926
(E)-1,5-diethoxy(1,5-13C2)pent-1-en-3-one
CID 25214411
13-(nonylamino)-4-oxotridec-2-enoic acid
CID 140957644
4-[2-[2-[2-[2-[2-[2-(2-octadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-oxobut-2-enoic acid
CID 57356593
4-(2-decoxyethoxy)-4-oxobut-2-enoic acid
CID 154239717
(Z)-4-(2-octadecoxyethoxy)-4-oxobut-2-enoic acid
CID 139634873
but-2-enedioic acid;undecane
CID 157202832

Frequently Asked Questions

What is the IUPAC name of (Z)-4-oxo-6-propoxyhex-2-enoic acid?
The IUPAC name of (Z)-4-oxo-6-propoxyhex-2-enoic acid (CID 134452151) is (Z)-4-oxo-6-propoxyhex-2-enoic acid.
What is the SMILES notation for (Z)-4-oxo-6-propoxyhex-2-enoic acid?
The canonical SMILES for (Z)-4-oxo-6-propoxyhex-2-enoic acid is CCCOCCC(=O)/C=C\C(=O)O.
What is the InChIKey of (Z)-4-oxo-6-propoxyhex-2-enoic acid?
The InChIKey is DXGPOZRXHSDWCZ-ARJAWSKDSA-N. The full InChI is InChI=1S/C9H14O4/c1-2-6-13-7-5-8(10)3-4-9(11)12/h3-4H,2,5-7H2,1H3,(H,11,12)/b4-3-.
What are the key properties of (Z)-4-oxo-6-propoxyhex-2-enoic acid?
(Z)-4-oxo-6-propoxyhex-2-enoic acid has a molecular weight of 186.21 g/mol, XLogP of 1.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-oxo-6-propoxyhex-2-enoic acid is sourced from PubChem (CID 134452151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).