2-ethoxyacetic acid;non-4-ene

C13H26O3 — CID 175736299

IUPAC2-ethoxyacetic acid;non-4-ene
SMILESCCCC=CCCCC.CCOCC(=O)O
InChIInChI=1S/C9H18.C4H8O3/c1-3-5-7-9-8-6-4-2;1-2-7-3-4(5)6/h7,9H,3-6,8H2,1-2H3;2-3H2,1H3,(H,5,6)
InChIKeyPRLIYRFFSWGQIA-UHFFFAOYSA-N
MW230.35 g/mol
LogP3.64
Rot. Bonds8

About 2-ethoxyacetic acid;non-4-ene

2-ethoxyacetic acid;non-4-ene (PubChem CID 175736299) has the molecular formula C13H26O3 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2-ethoxyacetic acid;non-4-ene.

Molecular Properties

Compound Name2-ethoxyacetic acid;non-4-ene
PubChem CID175736299
Molecular FormulaC13H26O3
Molecular Weight230.35 g/mol
Exact Mass230.19
IUPAC Name2-ethoxyacetic acid;non-4-ene
SMILESCCCC=CCCCC.CCOCC(=O)O
InChIInChI=1S/C9H18.C4H8O3/c1-3-5-7-9-8-6-4-2;1-2-7-3-4(5)6/h7,9H,3-6,8H2,1-2H3;2-3H2,1H3,(H,5,6)
InChIKeyPRLIYRFFSWGQIA-UHFFFAOYSA-N
XLogP3.64
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-dodec-8-enoxyacetic acid
CID 175547698
2-ethoxyacetic acid
CID 159744705
2-ethoxyacetic acid;2-ethylhex-2-enoic acid
CID 173257029
carbonic acid;2-ethoxyacetic acid
CID 174869478
2-ethoxyacetic acid;1-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]pentane
CID 174802601
diethyl hydrogen phosphate;non-4-ene
CID 175929703
(2E,6E,10E,14E,18E)-tricosa-2,6,10,14,18-pentaenoic acid
CID 21286858
pentadeca-5,10-dienoic acid
CID 535083
pentadeca-4,10-diene
CID 54306056
(4E,9Z)-tetradeca-4,9-diene
CID 152732976
(2Z,5Z,8Z,11Z)-hexadeca-2,5,8,11-tetraenoic acid
CID 131839761
(E)-tetracos-20-enoic acid
CID 171117693

Frequently Asked Questions

What is the IUPAC name of 2-ethoxyacetic acid;non-4-ene?
The IUPAC name of 2-ethoxyacetic acid;non-4-ene (CID 175736299) is 2-ethoxyacetic acid;non-4-ene.
What is the SMILES notation for 2-ethoxyacetic acid;non-4-ene?
The canonical SMILES for 2-ethoxyacetic acid;non-4-ene is CCCC=CCCCC.CCOCC(=O)O.
What is the InChIKey of 2-ethoxyacetic acid;non-4-ene?
The InChIKey is PRLIYRFFSWGQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18.C4H8O3/c1-3-5-7-9-8-6-4-2;1-2-7-3-4(5)6/h7,9H,3-6,8H2,1-2H3;2-3H2,1H3,(H,5,6).
What are the key properties of 2-ethoxyacetic acid;non-4-ene?
2-ethoxyacetic acid;non-4-ene has a molecular weight of 230.35 g/mol, XLogP of 3.64, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyacetic acid;non-4-ene is sourced from PubChem (CID 175736299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).