potassium 4-cyclopropyl-4-ethyloxane

C10H17KO — CID 166538033

IUPACpotassium 4-cyclopropyl-4-ethyloxane
SMILES[CH2-]CC1(C2CC2)CCOCC1.[K+]
InChIInChI=1S/C10H17O.K/c1-2-10(9-3-4-9)5-7-11-8-6-10;/h9H,1-8H2;/q-1;+1
InChIKeyTXCMVSAPXHZYRI-UHFFFAOYSA-N
MW192.34 g/mol
LogP-0.58
Rot. Bonds2

About potassium 4-cyclopropyl-4-ethyloxane

potassium 4-cyclopropyl-4-ethyloxane (PubChem CID 166538033) has the molecular formula C10H17KO and a molecular weight of 192.34 g/mol. Its IUPAC name is potassium 4-cyclopropyl-4-ethyloxane.

Molecular Properties

Compound Namepotassium 4-cyclopropyl-4-ethyloxane
PubChem CID166538033
Molecular FormulaC10H17KO
Molecular Weight192.34 g/mol
Exact Mass192.09
IUPAC Namepotassium 4-cyclopropyl-4-ethyloxane
SMILES[CH2-]CC1(C2CC2)CCOCC1.[K+]
InChIInChI=1S/C10H17O.K/c1-2-10(9-3-4-9)5-7-11-8-6-10;/h9H,1-8H2;/q-1;+1
InChIKeyTXCMVSAPXHZYRI-UHFFFAOYSA-N
XLogP-0.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.34
LogP ≤ 5-0.58
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

N-[(3-cyclopropyloxolan-3-yl)methyl]ethanamine
CID 104819411
[4-(oxolan-3-yl)oxan-4-yl]methanamine
CID 126973588
N-[(4-cyclopentyloxan-4-yl)methyl]-2-methylpropan-2-amine
CID 82932929
N-[(1-cyclopropylcyclobutyl)methyl]oxan-4-amine
CID 115757308
N-[(4-cycloheptyloxan-4-yl)methyl]propan-1-amine
CID 82933709
[4-(oxolan-2-yl)oxan-4-yl]methanamine
CID 165486804
N-[(3-cycloheptyloxolan-3-yl)methyl]propan-2-amine
CID 82934192
3-oxabicyclo[4.1.0]heptan-6-ylmethanol
CID 131073665
(3R)-3-methyl-2,9-dioxaspiro[5.5]undecane
CID 146427994
4-cyclopropyl-8-oxaspiro[4.5]decan-4-ol
CID 130493942
N-methyl-3-[3-(oxan-4-yl)oxetan-3-yl]propan-1-amine
CID 116870175
N-[(3-cyclohexyloxolan-3-yl)methyl]-2-methylpropan-1-amine
CID 82933491

Frequently Asked Questions

What is the IUPAC name of potassium 4-cyclopropyl-4-ethyloxane?
The IUPAC name of potassium 4-cyclopropyl-4-ethyloxane (CID 166538033) is potassium 4-cyclopropyl-4-ethyloxane.
What is the SMILES notation for potassium 4-cyclopropyl-4-ethyloxane?
The canonical SMILES for potassium 4-cyclopropyl-4-ethyloxane is [CH2-]CC1(C2CC2)CCOCC1.[K+].
What is the InChIKey of potassium 4-cyclopropyl-4-ethyloxane?
The InChIKey is TXCMVSAPXHZYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17O.K/c1-2-10(9-3-4-9)5-7-11-8-6-10;/h9H,1-8H2;/q-1;+1.
What are the key properties of potassium 4-cyclopropyl-4-ethyloxane?
potassium 4-cyclopropyl-4-ethyloxane has a molecular weight of 192.34 g/mol, XLogP of -0.58, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 4-cyclopropyl-4-ethyloxane is sourced from PubChem (CID 166538033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).