copper(1+);3-methanidylidene-1-methoxyheptane

C9H17CuO — CID 134980098

IUPACcopper(1+);3-methanidylidene-1-methoxyheptane
SMILES[Cu+].[H]/[C-]=C(/CCCC)CCOC
InChIInChI=1S/C9H17O.Cu/c1-4-5-6-9(2)7-8-10-3;/h2H,4-8H2,1,3H3;/q-1;+1
InChIKeyVIUQBZZKQZGRLB-UHFFFAOYSA-N
MW204.78 g/mol
LogP2.57
Rot. Bonds6

About copper(1+);3-methanidylidene-1-methoxyheptane

copper(1+);3-methanidylidene-1-methoxyheptane (PubChem CID 134980098) has the molecular formula C9H17CuO and a molecular weight of 204.78 g/mol. Its IUPAC name is copper(1+);3-methanidylidene-1-methoxyheptane.

Molecular Properties

Compound Namecopper(1+);3-methanidylidene-1-methoxyheptane
PubChem CID134980098
Molecular FormulaC9H17CuO
Molecular Weight204.78 g/mol
Exact Mass204.06
IUPAC Namecopper(1+);3-methanidylidene-1-methoxyheptane
SMILES[Cu+].[H]/[C-]=C(/CCCC)CCOC
InChIInChI=1S/C9H17O.Cu/c1-4-5-6-9(2)7-8-10-3;/h2H,4-8H2,1,3H3;/q-1;+1
InChIKeyVIUQBZZKQZGRLB-UHFFFAOYSA-N
XLogP2.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.78
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-Pentyl-2,3-dihydrofuran
CID 13291791
10-(3-Methylbut-3-enoxy)dec-1-ene
CID 168890516
2-(Methoxymethyl)-3-methylidenehept-1-ene
CID 134834974
Copper(1+);3-methanidylideneheptoxy(trimethyl)silane
CID 134980688
4-Methoxy-2-methylundec-1-ene
CID 162400851
5,5-Difluoro-1-methoxy-3-methylideneheptane
CID 167590161
1-(3-Methylbut-3-enoxy)hexane
CID 15937066
4-Butyl-2,3-dihydrofuran
CID 19883176
1-(2-Ethylbut-1-enoxy)heptane
CID 22234801
3-(Hexoxymethylidene)heptane
CID 57322207
8-Methoxy-2-methyloct-1-ene
CID 59196960
1-Methoxy-4-methylidenehexane
CID 60040687

Frequently Asked Questions

What is the IUPAC name of copper(1+);3-methanidylidene-1-methoxyheptane?
The IUPAC name of copper(1+);3-methanidylidene-1-methoxyheptane (CID 134980098) is copper(1+);3-methanidylidene-1-methoxyheptane.
What is the SMILES notation for copper(1+);3-methanidylidene-1-methoxyheptane?
The canonical SMILES for copper(1+);3-methanidylidene-1-methoxyheptane is [Cu+].[H]/[C-]=C(/CCCC)CCOC.
What is the InChIKey of copper(1+);3-methanidylidene-1-methoxyheptane?
The InChIKey is VIUQBZZKQZGRLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17O.Cu/c1-4-5-6-9(2)7-8-10-3;/h2H,4-8H2,1,3H3;/q-1;+1.
What are the key properties of copper(1+);3-methanidylidene-1-methoxyheptane?
copper(1+);3-methanidylidene-1-methoxyheptane has a molecular weight of 204.78 g/mol, XLogP of 2.57, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for copper(1+);3-methanidylidene-1-methoxyheptane is sourced from PubChem (CID 134980098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).