(E)-6-(methoxymethoxy)-4-methylhex-4-enoic acid

C9H16O4 — CID 11106098

IUPAC(E)-6-(methoxymethoxy)-4-methylhex-4-enoic acid
SMILESCOCOC/C=C(\C)CCC(=O)O
InChIInChI=1S/C9H16O4/c1-8(3-4-9(10)11)5-6-13-7-12-2/h5H,3-4,6-7H2,1-2H3,(H,10,11)/b8-5+
InChIKeyBLGPQARWPFSHKU-VMPITWQZSA-N
MW188.22 g/mol
LogP1.42
Rot. Bonds7

About (E)-6-(methoxymethoxy)-4-methylhex-4-enoic acid

(E)-6-(methoxymethoxy)-4-methylhex-4-enoic acid (PubChem CID 11106098) has the molecular formula C9H16O4 and a molecular weight of 188.22 g/mol. Its IUPAC name is (E)-6-(methoxymethoxy)-4-methylhex-4-enoic acid.

Molecular Properties

Compound Name(E)-6-(methoxymethoxy)-4-methylhex-4-enoic acid
PubChem CID11106098
Molecular FormulaC9H16O4
Molecular Weight188.22 g/mol
Exact Mass188.10
IUPAC Name(E)-6-(methoxymethoxy)-4-methylhex-4-enoic acid
SMILESCOCOC/C=C(\C)CCC(=O)O
InChIInChI=1S/C9H16O4/c1-8(3-4-9(10)11)5-6-13-7-12-2/h5H,3-4,6-7H2,1-2H3,(H,10,11)/b8-5+
InChIKeyBLGPQARWPFSHKU-VMPITWQZSA-N
XLogP1.42
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(methoxymethoxy)-3,7-dimethylocta-2,6-diene
CID 3018010
2-[(2E)-3,7-dimethylocta-2,6-dienoxy]acetic acid
CID 12648855
(E)-6-methoxy-4-methylhex-4-enal
CID 59967277
(8E,16E)-4,8,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaenoic acid
CID 58369785
methyl (E)-6-acetyloxy-4-methylhex-4-enoate
CID 10878162
(Z)-1,5-dimethoxy-3-methylpent-2-ene
CID 146216379
[(E)-6-(methoxymethoxy)-3-methylhex-2-enyl] phosphono hydrogen phosphate
CID 11099683
6-(2,5-diacetyloxy-3,4,6-trimethylphenyl)-4-methylhex-4-enoic acid
CID 54088102
4-(methoxymethoxymethoxy)-3-oxobutanoic acid
CID 151680712
12-(methoxymethoxy)-3,7,11-trimethyldodeca-2,6,10-trienal
CID 57206388
5-[(2E)-3,7-dimethylocta-2,6-dienoxy]-5-oxopentanoic acid
CID 87993792
butanedioic acid;ethaneperoxoic acid
CID 160919533

Frequently Asked Questions

What is the IUPAC name of (E)-6-(methoxymethoxy)-4-methylhex-4-enoic acid?
The IUPAC name of (E)-6-(methoxymethoxy)-4-methylhex-4-enoic acid (CID 11106098) is (E)-6-(methoxymethoxy)-4-methylhex-4-enoic acid.
What is the SMILES notation for (E)-6-(methoxymethoxy)-4-methylhex-4-enoic acid?
The canonical SMILES for (E)-6-(methoxymethoxy)-4-methylhex-4-enoic acid is COCOC/C=C(\C)CCC(=O)O.
What is the InChIKey of (E)-6-(methoxymethoxy)-4-methylhex-4-enoic acid?
The InChIKey is BLGPQARWPFSHKU-VMPITWQZSA-N. The full InChI is InChI=1S/C9H16O4/c1-8(3-4-9(10)11)5-6-13-7-12-2/h5H,3-4,6-7H2,1-2H3,(H,10,11)/b8-5+.
What are the key properties of (E)-6-(methoxymethoxy)-4-methylhex-4-enoic acid?
(E)-6-(methoxymethoxy)-4-methylhex-4-enoic acid has a molecular weight of 188.22 g/mol, XLogP of 1.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-(methoxymethoxy)-4-methylhex-4-enoic acid is sourced from PubChem (CID 11106098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).