copper(1+);2-[(3S)-oct-1-en-3-yl]oxyoxane

C13H23CuO2 — CID 134889915

IUPACcopper(1+);2-[(3S)-oct-1-en-3-yl]oxyoxane
SMILES[Cu+].[H]/[C-]=C\[C@H](CCCCC)OC1CCCCO1
InChIInChI=1S/C13H23O2.Cu/c1-3-5-6-9-12(4-2)15-13-10-7-8-11-14-13;/h2,4,12-13H,3,5-11H2,1H3;/q-1;+1/t12-,13?;/m1./s1
InChIKeyIFNVJDBAIDOALL-QPWPOBFOSA-N
MW274.87 g/mol
LogP3.47
Rot. Bonds7

About copper(1+);2-[(3S)-oct-1-en-3-yl]oxyoxane

copper(1+);2-[(3S)-oct-1-en-3-yl]oxyoxane (PubChem CID 134889915) has the molecular formula C13H23CuO2 and a molecular weight of 274.87 g/mol. Its IUPAC name is copper(1+);2-[(3S)-oct-1-en-3-yl]oxyoxane.

Molecular Properties

Compound Namecopper(1+);2-[(3S)-oct-1-en-3-yl]oxyoxane
PubChem CID134889915
Molecular FormulaC13H23CuO2
Molecular Weight274.87 g/mol
Exact Mass274.10
IUPAC Namecopper(1+);2-[(3S)-oct-1-en-3-yl]oxyoxane
SMILES[Cu+].[H]/[C-]=C\[C@H](CCCCC)OC1CCCCO1
InChIInChI=1S/C13H23O2.Cu/c1-3-5-6-9-12(4-2)15-13-10-7-8-11-14-13;/h2,4,12-13H,3,5-11H2,1H3;/q-1;+1/t12-,13?;/m1./s1
InChIKeyIFNVJDBAIDOALL-QPWPOBFOSA-N
XLogP3.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.87
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-((Pent-1-en-3-yl)oxy)oxane
CID 14103515
2-Oct-1-en-3-yloxyoxane
CID 10727282
Lithium 2-oct-1-en-3-yloxyoxane
CID 12838006
2-[(E,3S)-1-iodooct-1-en-3-yl]oxyoxane
CID 14077178
3-(Ethoxymethoxy)oct-1-ene
CID 88003605
2-(4-Fluorooct-1-en-3-yloxy)oxane
CID 173439621
1-Octene, 3-(methoxymethoxy)-
CID 542474
(2S,3R)-3-iodo-2-oct-1-en-3-yloxyoxane
CID 11110519
2-(1,1-Dibromooct-1-en-3-yloxy)oxane
CID 86040714
(2s)-2-(2-Tetrahydropyranyloxy)hept-6-ene
CID 129866228
2-[(3R)-3-(methoxymethoxy)pent-4-enoxy]oxane
CID 134857158
(2R,4S,5R)-4-but-3-enyl-2-methyl-5-[(3R)-pent-1-en-3-yl]oxy-1,3-dioxane
CID 134882515

Frequently Asked Questions

What is the IUPAC name of copper(1+);2-[(3S)-oct-1-en-3-yl]oxyoxane?
The IUPAC name of copper(1+);2-[(3S)-oct-1-en-3-yl]oxyoxane (CID 134889915) is copper(1+);2-[(3S)-oct-1-en-3-yl]oxyoxane.
What is the SMILES notation for copper(1+);2-[(3S)-oct-1-en-3-yl]oxyoxane?
The canonical SMILES for copper(1+);2-[(3S)-oct-1-en-3-yl]oxyoxane is [Cu+].[H]/[C-]=C\[C@H](CCCCC)OC1CCCCO1.
What is the InChIKey of copper(1+);2-[(3S)-oct-1-en-3-yl]oxyoxane?
The InChIKey is IFNVJDBAIDOALL-QPWPOBFOSA-N. The full InChI is InChI=1S/C13H23O2.Cu/c1-3-5-6-9-12(4-2)15-13-10-7-8-11-14-13;/h2,4,12-13H,3,5-11H2,1H3;/q-1;+1/t12-,13?;/m1./s1.
What are the key properties of copper(1+);2-[(3S)-oct-1-en-3-yl]oxyoxane?
copper(1+);2-[(3S)-oct-1-en-3-yl]oxyoxane has a molecular weight of 274.87 g/mol, XLogP of 3.47, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for copper(1+);2-[(3S)-oct-1-en-3-yl]oxyoxane is sourced from PubChem (CID 134889915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).