copper(1+);3-(diethoxyphosphorylmethylidene)heptane

C12H24CuO3P — CID 134890014

IUPACcopper(1+);3-(diethoxyphosphorylmethylidene)heptane
SMILESCCCC/C(=[C-]/P(=O)(OCC)OCC)CC.[Cu+]
InChIInChI=1S/C12H24O3P.Cu/c1-5-9-10-12(6-2)11-16(13,14-7-3)15-8-4;/h5-10H2,1-4H3;/q-1;+1
InChIKeyKDFZXNLBLYHBCH-UHFFFAOYSA-N
MW310.84 g/mol
LogP4.54
Rot. Bonds9

About copper(1+);3-(diethoxyphosphorylmethylidene)heptane

copper(1+);3-(diethoxyphosphorylmethylidene)heptane (PubChem CID 134890014) has the molecular formula C12H24CuO3P and a molecular weight of 310.84 g/mol. Its IUPAC name is copper(1+);3-(diethoxyphosphorylmethylidene)heptane.

Molecular Properties

Compound Namecopper(1+);3-(diethoxyphosphorylmethylidene)heptane
PubChem CID134890014
Molecular FormulaC12H24CuO3P
Molecular Weight310.84 g/mol
Exact Mass310.08
IUPAC Namecopper(1+);3-(diethoxyphosphorylmethylidene)heptane
SMILESCCCC/C(=[C-]/P(=O)(OCC)OCC)CC.[Cu+]
InChIInChI=1S/C12H24O3P.Cu/c1-5-9-10-12(6-2)11-16(13,14-7-3)15-8-4;/h5-10H2,1-4H3;/q-1;+1
InChIKeyKDFZXNLBLYHBCH-UHFFFAOYSA-N
XLogP4.54
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.84
LogP ≤ 54.54
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 1-octen-2-yl-phosphonate
CID 10857821
(3Z)-3-[diethoxyphosphoryl(iodo)methylidene]-1-iodoheptane
CID 11260538
(3E)-3-[diethoxyphosphoryl(iodo)methylidene]heptane
CID 10499626
(3Z)-3-(diethoxyphosphorylmethylidene)heptane
CID 10562512
(Z)-1-diethoxyphosphoryl-2-methylhex-1-ene
CID 10633435
5-(Diethoxyphosphorylmethylidene)nonane
CID 10660090
(E)-1-diethoxyphosphoryl-2-methyloct-1-ene
CID 10849072
(3E)-3-[bromo(diethoxyphosphoryl)methylidene]heptane
CID 11438817
3-(Diethoxyphosphorylmethyl)hepta-1,2-diene
CID 12533983
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

Frequently Asked Questions

What is the IUPAC name of copper(1+);3-(diethoxyphosphorylmethylidene)heptane?
The IUPAC name of copper(1+);3-(diethoxyphosphorylmethylidene)heptane (CID 134890014) is copper(1+);3-(diethoxyphosphorylmethylidene)heptane.
What is the SMILES notation for copper(1+);3-(diethoxyphosphorylmethylidene)heptane?
The canonical SMILES for copper(1+);3-(diethoxyphosphorylmethylidene)heptane is CCCC/C(=[C-]/P(=O)(OCC)OCC)CC.[Cu+].
What is the InChIKey of copper(1+);3-(diethoxyphosphorylmethylidene)heptane?
The InChIKey is KDFZXNLBLYHBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3P.Cu/c1-5-9-10-12(6-2)11-16(13,14-7-3)15-8-4;/h5-10H2,1-4H3;/q-1;+1.
What are the key properties of copper(1+);3-(diethoxyphosphorylmethylidene)heptane?
copper(1+);3-(diethoxyphosphorylmethylidene)heptane has a molecular weight of 310.84 g/mol, XLogP of 4.54, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for copper(1+);3-(diethoxyphosphorylmethylidene)heptane is sourced from PubChem (CID 134890014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).