2-(2-methoxyethoxymethyl)hex-5-enoic acid

C10H18O4 — CID 146545339

IUPAC2-(2-methoxyethoxymethyl)hex-5-enoic acid
SMILESC=CCCC(COCCOC)C(=O)O
InChIInChI=1S/C10H18O4/c1-3-4-5-9(10(11)12)8-14-7-6-13-2/h3,9H,1,4-8H2,2H3,(H,11,12)
InChIKeyVMRLPOQDYRTCEO-UHFFFAOYSA-N
MW202.25 g/mol
LogP1.32
Rot. Bonds9

About 2-(2-methoxyethoxymethyl)hex-5-enoic acid

2-(2-methoxyethoxymethyl)hex-5-enoic acid (PubChem CID 146545339) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is 2-(2-methoxyethoxymethyl)hex-5-enoic acid.

Molecular Properties

Compound Name2-(2-methoxyethoxymethyl)hex-5-enoic acid
PubChem CID146545339
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name2-(2-methoxyethoxymethyl)hex-5-enoic acid
SMILESC=CCCC(COCCOC)C(=O)O
InChIInChI=1S/C10H18O4/c1-3-4-5-9(10(11)12)8-14-7-6-13-2/h3,9H,1,4-8H2,2H3,(H,11,12)
InChIKeyVMRLPOQDYRTCEO-UHFFFAOYSA-N
XLogP1.32
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(methoxymethyl)hex-5-enoic acid
CID 146545630
2-(methoxymethyl)non-8-enoic acid
CID 90389869
(2S,3S)-2-(2-methoxyethoxymethyl)-3-methylhex-5-enoic acid
CID 146545133
2-amino-3-(2-methoxyethoxy)propanoic acid
CID 20596399
2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-(prop-2-enoxycarbonylamino)butanoic acid
CID 167723316
1-methoxydec-9-ene-3,6-diol
CID 91577196
2-(2-bromoethyl)hex-5-enoic acid
CID 175139713
bis(4-(methoxymethoxy)-3-(methoxymethoxymethyl)butan-2-one);3-(methoxymethoxy)-2-(methoxymethoxymethyl)propanoic acid
CID 160850611
2-amino-3-pent-4-enoxypropanoic acid
CID 79114694
(2S)-3-[2-(2-methoxyethoxy)ethoxy]-2-methylpropanoic acid
CID 87267502
2-(2-aminoethyl)-4-hydroxy-5-(2-methoxyethoxy)pentanoic acid
CID 106993176
2-[2-(2-methoxyethoxy)ethyl]butanedioic acid
CID 174998177

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxymethyl)hex-5-enoic acid?
The IUPAC name of 2-(2-methoxyethoxymethyl)hex-5-enoic acid (CID 146545339) is 2-(2-methoxyethoxymethyl)hex-5-enoic acid.
What is the SMILES notation for 2-(2-methoxyethoxymethyl)hex-5-enoic acid?
The canonical SMILES for 2-(2-methoxyethoxymethyl)hex-5-enoic acid is C=CCCC(COCCOC)C(=O)O.
What is the InChIKey of 2-(2-methoxyethoxymethyl)hex-5-enoic acid?
The InChIKey is VMRLPOQDYRTCEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-3-4-5-9(10(11)12)8-14-7-6-13-2/h3,9H,1,4-8H2,2H3,(H,11,12).
What are the key properties of 2-(2-methoxyethoxymethyl)hex-5-enoic acid?
2-(2-methoxyethoxymethyl)hex-5-enoic acid has a molecular weight of 202.25 g/mol, XLogP of 1.32, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxymethyl)hex-5-enoic acid is sourced from PubChem (CID 146545339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).