2-(methoxymethyl)hex-5-enoic acid

C8H14O3 — CID 146545630

IUPAC2-(methoxymethyl)hex-5-enoic acid
SMILESC=CCCC(COC)C(=O)O
InChIInChI=1S/C8H14O3/c1-3-4-5-7(6-11-2)8(9)10/h3,7H,1,4-6H2,2H3,(H,9,10)
InChIKeyCZRUELWAGSRSSO-UHFFFAOYSA-N
MW158.20 g/mol
LogP1.30
Rot. Bonds6

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

2-(methoxymethyl)hex-5-enoic acid (PubChem CID 146545630) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is 2-(methoxymethyl)hex-5-enoic acid.

Molecular Properties

Compound Name2-(methoxymethyl)hex-5-enoic acid
PubChem CID146545630
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name2-(methoxymethyl)hex-5-enoic acid
SMILESC=CCCC(COC)C(=O)O
InChIInChI=1S/C8H14O3/c1-3-4-5-7(6-11-2)8(9)10/h3,7H,1,4-6H2,2H3,(H,9,10)
InChIKeyCZRUELWAGSRSSO-UHFFFAOYSA-N
XLogP1.30
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyethoxymethyl)hex-5-enoic acid
CID 146545339
2-(methoxymethyl)non-8-enoic acid
CID 90389869
2-(2-bromoethyl)hex-5-enoic acid
CID 175139713
2-but-3-enyldecanoic acid;sulfane
CID 174631215
1-methoxydec-9-ene-3,6-diol
CID 91577196
(2S)-2-ethenylhex-5-enoic acid
CID 91757260
(2R)-2-ethenylhex-5-enoic acid
CID 91757207
benzene;2-but-3-enylpropanedioic acid
CID 174917168
3-methoxyhept-6-en-2-one
CID 45085639
2-(methoxymethyl)-4-oxopentanedioic acid
CID 15097822
2-but-3-enoxypropanoic acid
CID 43128770
2-hex-5-enyloct-7-enoic acid;2-pent-4-enylhept-6-enoic acid
CID 87921197

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)hex-5-enoic acid?
The IUPAC name of 2-(methoxymethyl)hex-5-enoic acid (CID 146545630) is 2-(methoxymethyl)hex-5-enoic acid.
What is the SMILES notation for 2-(methoxymethyl)hex-5-enoic acid?
The canonical SMILES for 2-(methoxymethyl)hex-5-enoic acid is C=CCCC(COC)C(=O)O.
What is the InChIKey of 2-(methoxymethyl)hex-5-enoic acid?
The InChIKey is CZRUELWAGSRSSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-3-4-5-7(6-11-2)8(9)10/h3,7H,1,4-6H2,2H3,(H,9,10).
What are the key properties of 2-(methoxymethyl)hex-5-enoic acid?
2-(methoxymethyl)hex-5-enoic acid has a molecular weight of 158.20 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)hex-5-enoic acid is sourced from PubChem (CID 146545630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).