(2,3-dipropylcycloprop-2-en-1-ylidene)-ethyloxidanium

C11H19O+ — CID 134897827

IUPAC(2,3-dipropylcycloprop-2-en-1-ylidene)-ethyloxidanium
SMILESCCCc1c(CCC)c1=[O+]CC
InChIInChI=1S/C11H19O/c1-4-7-9-10(8-5-2)11(9)12-6-3/h4-8H2,1-3H3/q+1
InChIKeyAOLBVIGLLMWGND-UHFFFAOYSA-N
MW167.27 g/mol
LogP2.38
Rot. Bonds5

About (2,3-dipropylcycloprop-2-en-1-ylidene)-ethyloxidanium

(2,3-dipropylcycloprop-2-en-1-ylidene)-ethyloxidanium (PubChem CID 134897827) has the molecular formula C11H19O+ and a molecular weight of 167.27 g/mol. Its IUPAC name is (2,3-dipropylcycloprop-2-en-1-ylidene)-ethyloxidanium.

Molecular Properties

Compound Name(2,3-dipropylcycloprop-2-en-1-ylidene)-ethyloxidanium
PubChem CID134897827
Molecular FormulaC11H19O+
Molecular Weight167.27 g/mol
Exact Mass167.14
IUPAC Name(2,3-dipropylcycloprop-2-en-1-ylidene)-ethyloxidanium
SMILESCCCc1c(CCC)c1=[O+]CC
InChIInChI=1S/C11H19O/c1-4-7-9-10(8-5-2)11(9)12-6-3/h4-8H2,1-3H3/q+1
InChIKeyAOLBVIGLLMWGND-UHFFFAOYSA-N
XLogP2.38
TPSA11.30 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.27
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,4,5,6-tetrapropylbenzene-1,3-diamine
CID 87165891
1-ethyl-2,3,5,6-tetramethyl-4-propylpyridin-1-ium
CID 159545939
2,3,4,5-tetrahydroxy-6-propylbenzoic acid
CID 90254903
1-(2,3,5,6-tetrafluoro-4-propylphenyl)ethanone
CID 165347604
(5-dimethylsilyl-3,4-dipropylthiophen-2-yl)-dimethylsilane
CID 123949993
2,3,5,6-tetrachloro-4-propylphenol
CID 88821235
2-propylbenzene-1,3,5-triol
CID 13411724
1,2,3-tripropyl-5-[2-(3,4,5-tripropylphenyl)ethyl]benzene
CID 101311555
(2,3,5,6-tetrafluoro-4-propylphenyl)phosphane
CID 166866100
1,2,4,5-tetrafluoro-3-propylbenzene
CID 12944004
1,2,3,4,5,6-hexabutylbenzene
CID 12586860
5-methyl-2-propylbenzene-1,3-diol
CID 12529753

Frequently Asked Questions

What is the IUPAC name of (2,3-dipropylcycloprop-2-en-1-ylidene)-ethyloxidanium?
The IUPAC name of (2,3-dipropylcycloprop-2-en-1-ylidene)-ethyloxidanium (CID 134897827) is (2,3-dipropylcycloprop-2-en-1-ylidene)-ethyloxidanium.
What is the SMILES notation for (2,3-dipropylcycloprop-2-en-1-ylidene)-ethyloxidanium?
The canonical SMILES for (2,3-dipropylcycloprop-2-en-1-ylidene)-ethyloxidanium is CCCc1c(CCC)c1=[O+]CC.
What is the InChIKey of (2,3-dipropylcycloprop-2-en-1-ylidene)-ethyloxidanium?
The InChIKey is AOLBVIGLLMWGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19O/c1-4-7-9-10(8-5-2)11(9)12-6-3/h4-8H2,1-3H3/q+1.
What are the key properties of (2,3-dipropylcycloprop-2-en-1-ylidene)-ethyloxidanium?
(2,3-dipropylcycloprop-2-en-1-ylidene)-ethyloxidanium has a molecular weight of 167.27 g/mol, XLogP of 2.38, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dipropylcycloprop-2-en-1-ylidene)-ethyloxidanium is sourced from PubChem (CID 134897827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).