copper(1+);1-diethoxyphosphoryl-2-methylhex-1-ene

C11H22CuO3P — CID 134889895

IUPACcopper(1+);1-diethoxyphosphoryl-2-methylhex-1-ene
SMILESCCCC/C(C)=[C-]/P(=O)(OCC)OCC.[Cu+]
InChIInChI=1S/C11H22O3P.Cu/c1-5-8-9-11(4)10-15(12,13-6-2)14-7-3;/h5-9H2,1-4H3;/q-1;+1
InChIKeyMHBLXQXHGZCRMN-UHFFFAOYSA-N
MW296.81 g/mol
LogP4.15
Rot. Bonds8

About copper(1+);1-diethoxyphosphoryl-2-methylhex-1-ene

copper(1+);1-diethoxyphosphoryl-2-methylhex-1-ene (PubChem CID 134889895) has the molecular formula C11H22CuO3P and a molecular weight of 296.81 g/mol. Its IUPAC name is copper(1+);1-diethoxyphosphoryl-2-methylhex-1-ene.

Molecular Properties

Compound Namecopper(1+);1-diethoxyphosphoryl-2-methylhex-1-ene
PubChem CID134889895
Molecular FormulaC11H22CuO3P
Molecular Weight296.81 g/mol
Exact Mass296.06
IUPAC Namecopper(1+);1-diethoxyphosphoryl-2-methylhex-1-ene
SMILESCCCC/C(C)=[C-]/P(=O)(OCC)OCC.[Cu+]
InChIInChI=1S/C11H22O3P.Cu/c1-5-8-9-11(4)10-15(12,13-6-2)14-7-3;/h5-9H2,1-4H3;/q-1;+1
InChIKeyMHBLXQXHGZCRMN-UHFFFAOYSA-N
XLogP4.15
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.81
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Diethyl (2-cyclohexylideneethenyl)phosphonate
CID 12473820
(3E)-3-[diethoxyphosphoryl(iodo)methylidene]heptane
CID 10499626
(3Z)-3-(diethoxyphosphorylmethylidene)heptane
CID 10562512
(Z)-1-diethoxyphosphoryl-2-methylhex-1-ene
CID 10633435
(3E)-3-[bromo(diethoxyphosphoryl)methylidene]heptane
CID 11438817
3-(Diethoxyphosphorylmethyl)hepta-1,2-diene
CID 12533983
3-Diethoxyphosphorylhepta-1,2-diene
CID 16079428
4-Diethoxyphosphoryl-2-methylocta-2,3-diene
CID 25215108
5-Diethoxyphosphoryl-3-methylnona-3,4-diene
CID 25215351
Ethoxy(2-methylocta-2,3-dien-4-yl)phosphinic acid
CID 25216260
Copper(1+);3-(diethoxyphosphorylmethylidene)heptane
CID 134890014
5-Diethoxyphosphoryl-2-methylpent-1-ene
CID 11345027

Frequently Asked Questions

What is the IUPAC name of copper(1+);1-diethoxyphosphoryl-2-methylhex-1-ene?
The IUPAC name of copper(1+);1-diethoxyphosphoryl-2-methylhex-1-ene (CID 134889895) is copper(1+);1-diethoxyphosphoryl-2-methylhex-1-ene.
What is the SMILES notation for copper(1+);1-diethoxyphosphoryl-2-methylhex-1-ene?
The canonical SMILES for copper(1+);1-diethoxyphosphoryl-2-methylhex-1-ene is CCCC/C(C)=[C-]/P(=O)(OCC)OCC.[Cu+].
What is the InChIKey of copper(1+);1-diethoxyphosphoryl-2-methylhex-1-ene?
The InChIKey is MHBLXQXHGZCRMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3P.Cu/c1-5-8-9-11(4)10-15(12,13-6-2)14-7-3;/h5-9H2,1-4H3;/q-1;+1.
What are the key properties of copper(1+);1-diethoxyphosphoryl-2-methylhex-1-ene?
copper(1+);1-diethoxyphosphoryl-2-methylhex-1-ene has a molecular weight of 296.81 g/mol, XLogP of 4.15, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for copper(1+);1-diethoxyphosphoryl-2-methylhex-1-ene is sourced from PubChem (CID 134889895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).