2-[5-[5-(carboxymethoxy)pentylselanyl]pentoxy]acetic acid

C14H26O6Se — CID 155770977

IUPAC2-[5-[5-(carboxymethoxy)pentylselanyl]pentoxy]acetic acid
SMILESO=C(O)COCCCCC[Se]CCCCCOCC(=O)O
InChIInChI=1S/C14H26O6Se/c15-13(16)11-19-7-3-1-5-9-21-10-6-2-4-8-20-12-14(17)18/h1-12H2,(H,15,16)(H,17,18)
InChIKeyRMPOYWVYDOMKMX-UHFFFAOYSA-N
MW369.32 g/mol
LogP2.07
Rot. Bonds16

About 2-[5-[5-(carboxymethoxy)pentylselanyl]pentoxy]acetic acid

2-[5-[5-(carboxymethoxy)pentylselanyl]pentoxy]acetic acid (PubChem CID 155770977) has the molecular formula C14H26O6Se and a molecular weight of 369.32 g/mol. Its IUPAC name is 2-[5-[5-(carboxymethoxy)pentylselanyl]pentoxy]acetic acid.

Molecular Properties

Compound Name2-[5-[5-(carboxymethoxy)pentylselanyl]pentoxy]acetic acid
PubChem CID155770977
Molecular FormulaC14H26O6Se
Molecular Weight369.32 g/mol
Exact Mass370.09
IUPAC Name2-[5-[5-(carboxymethoxy)pentylselanyl]pentoxy]acetic acid
SMILESO=C(O)COCCCCC[Se]CCCCCOCC(=O)O
InChIInChI=1S/C14H26O6Se/c15-13(16)11-19-7-3-1-5-9-21-10-6-2-4-8-20-12-14(17)18/h1-12H2,(H,15,16)(H,17,18)
InChIKeyRMPOYWVYDOMKMX-UHFFFAOYSA-N
XLogP2.07
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.32
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 141124770
2-pentadecoxyacetic acid
CID 19866534
2-(12-fluorododecoxy)acetic acid
CID 21195352
2-nonadecoxyacetic acid
CID 91373626
2-octadecoxyacetic acid
CID 4147678
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hexoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 175716129
2-[2-[2-[2-[2-[2-[2-[2-(11-sulfanylundecoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 154729983
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hexadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 101104501
2-[2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 58975663
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(11-sulfanylundecoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 101236867
2-[2-[2-[2-[2-(6-chlorohexoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 134694956
sodium;2-dodecoxyacetic acid;hydride
CID 173155180

Frequently Asked Questions

What is the IUPAC name of 2-[5-[5-(carboxymethoxy)pentylselanyl]pentoxy]acetic acid?
The IUPAC name of 2-[5-[5-(carboxymethoxy)pentylselanyl]pentoxy]acetic acid (CID 155770977) is 2-[5-[5-(carboxymethoxy)pentylselanyl]pentoxy]acetic acid.
What is the SMILES notation for 2-[5-[5-(carboxymethoxy)pentylselanyl]pentoxy]acetic acid?
The canonical SMILES for 2-[5-[5-(carboxymethoxy)pentylselanyl]pentoxy]acetic acid is O=C(O)COCCCCC[Se]CCCCCOCC(=O)O.
What is the InChIKey of 2-[5-[5-(carboxymethoxy)pentylselanyl]pentoxy]acetic acid?
The InChIKey is RMPOYWVYDOMKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O6Se/c15-13(16)11-19-7-3-1-5-9-21-10-6-2-4-8-20-12-14(17)18/h1-12H2,(H,15,16)(H,17,18).
What are the key properties of 2-[5-[5-(carboxymethoxy)pentylselanyl]pentoxy]acetic acid?
2-[5-[5-(carboxymethoxy)pentylselanyl]pentoxy]acetic acid has a molecular weight of 369.32 g/mol, XLogP of 2.07, 16 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[5-(carboxymethoxy)pentylselanyl]pentoxy]acetic acid is sourced from PubChem (CID 155770977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).