copper bis(2-methoxybutan-1-olate)

C10H22CuO4 — CID 88518722

IUPACcopper bis(2-methoxybutan-1-olate)
SMILESCCC(C[O-])OC.CCC(C[O-])OC.[Cu+2]
InChIInChI=1S/2C5H11O2.Cu/c2*1-3-5(4-6)7-2;/h2*5H,3-4H2,1-2H3;/q2*-1;+2
InChIKeyPQPSHTAXJMWKCD-UHFFFAOYSA-N
MW269.83 g/mol
LogP-0.46
Rot. Bonds6

About copper bis(2-methoxybutan-1-olate)

copper bis(2-methoxybutan-1-olate) (PubChem CID 88518722) has the molecular formula C10H22CuO4 and a molecular weight of 269.83 g/mol. Its IUPAC name is copper bis(2-methoxybutan-1-olate).

Molecular Properties

Compound Namecopper bis(2-methoxybutan-1-olate)
PubChem CID88518722
Molecular FormulaC10H22CuO4
Molecular Weight269.83 g/mol
Exact Mass269.08
IUPAC Namecopper bis(2-methoxybutan-1-olate)
SMILESCCC(C[O-])OC.CCC(C[O-])OC.[Cu+2]
InChIInChI=1S/2C5H11O2.Cu/c2*1-3-5(4-6)7-2;/h2*5H,3-4H2,1-2H3;/q2*-1;+2
InChIKeyPQPSHTAXJMWKCD-UHFFFAOYSA-N
XLogP-0.46
TPSA64.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.83
LogP ≤ 5-0.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-methoxybutan-1-amine
CID 42427147
4-methoxy-2-oxohexanoic acid
CID 87467117
1-chloro-2-methoxybutane
CID 20783140
2-methoxy-N-(2-methoxybutyl)butan-1-amine
CID 87913992
ethane;2-methoxybutan-1-ol
CID 174440725
3-[2-[2-(2-methoxybutoxy)butoxy]butoxy]pentane
CID 90195811
3-methoxypentane;1-methoxypropane
CID 54391478
2-methoxybutoxy(trimethyl)silane
CID 123767575
2-methoxy-N-propylbutan-1-amine
CID 62446369
1,2-dimethoxybutane;1,2-dimethoxypropane
CID 91039470
methane;1-methoxy-2-methylbutane;3-methoxypentane
CID 160866312
ethane;S-(2-methoxybutyl) carbamothioate
CID 144757844

Frequently Asked Questions

What is the IUPAC name of copper bis(2-methoxybutan-1-olate)?
The IUPAC name of copper bis(2-methoxybutan-1-olate) (CID 88518722) is copper bis(2-methoxybutan-1-olate).
What is the SMILES notation for copper bis(2-methoxybutan-1-olate)?
The canonical SMILES for copper bis(2-methoxybutan-1-olate) is CCC(C[O-])OC.CCC(C[O-])OC.[Cu+2].
What is the InChIKey of copper bis(2-methoxybutan-1-olate)?
The InChIKey is PQPSHTAXJMWKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H11O2.Cu/c2*1-3-5(4-6)7-2;/h2*5H,3-4H2,1-2H3;/q2*-1;+2.
What are the key properties of copper bis(2-methoxybutan-1-olate)?
copper bis(2-methoxybutan-1-olate) has a molecular weight of 269.83 g/mol, XLogP of -0.46, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for copper bis(2-methoxybutan-1-olate) is sourced from PubChem (CID 88518722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).