cyclobutane;cyclohexane;cyclohexene;cyclopentane;cyclopropane;1,4-dioxane;morpholine;oxane;oxetane;oxolane

C44H87NO6 — CID 159317335

IUPACcyclobutane;cyclohexane;cyclohexene;cyclopentane;cyclopropane;1,4-dioxane;morpholine;oxane;oxetane;oxolane
SMILESC1=CCCCC1.C1CC1.C1CCC1.C1CCCC1.C1CCCCC1.C1CCOC1.C1CCOCC1.C1COC1.C1COCCN1.C1COCCO1
InChIInChI=1S/C6H12.C6H10.C5H10O.C5H10.C4H9NO.C4H8O2.C4H8O.C4H8.C3H6O.C3H6/c3*1-2-4-6-5-3-1;1-2-4-5-3-1;1-3-6-4-2-5-1;1-2-6-4-3-5-1;1-2-4-5-3-1;2*1-2-4-3-1;1-2-3-1/h1-6H2;1-2H,3-6H2;1-5H2;1-5H2;5H,1-4H2;1-4H2;1-4H2;1-4H2;1-3H2;1-3H2
InChIKeyLDHOYSKVPWRQJW-UHFFFAOYSA-N
MW726.18 g/mol
LogP11.17
Rot. Bonds

About cyclobutane;cyclohexane;cyclohexene;cyclopentane;cyclopropane;1,4-dioxane;morpholine;oxane;oxetane;oxolane

cyclobutane;cyclohexane;cyclohexene;cyclopentane;cyclopropane;1,4-dioxane;morpholine;oxane;oxetane;oxolane (PubChem CID 159317335) has the molecular formula C44H87NO6 and a molecular weight of 726.18 g/mol. Its IUPAC name is cyclobutane;cyclohexane;cyclohexene;cyclopentane;cyclopropane;1,4-dioxane;morpholine;oxane;oxetane;oxolane.

Molecular Properties

Compound Namecyclobutane;cyclohexane;cyclohexene;cyclopentane;cyclopropane;1,4-dioxane;morpholine;oxane;oxetane;oxolane
PubChem CID159317335
Molecular FormulaC44H87NO6
Molecular Weight726.18 g/mol
Exact Mass725.65
IUPAC Namecyclobutane;cyclohexane;cyclohexene;cyclopentane;cyclopropane;1,4-dioxane;morpholine;oxane;oxetane;oxolane
SMILESC1=CCCCC1.C1CC1.C1CCC1.C1CCCC1.C1CCCCC1.C1CCOC1.C1CCOCC1.C1COC1.C1COCCN1.C1COCCO1
InChIInChI=1S/C6H12.C6H10.C5H10O.C5H10.C4H9NO.C4H8O2.C4H8O.C4H8.C3H6O.C3H6/c3*1-2-4-6-5-3-1;1-2-4-5-3-1;1-3-6-4-2-5-1;1-2-6-4-3-5-1;1-2-4-5-3-1;2*1-2-4-3-1;1-2-3-1/h1-6H2;1-2H,3-6H2;1-5H2;1-5H2;5H,1-4H2;1-4H2;1-4H2;1-4H2;1-3H2;1-3H2
InChIKeyLDHOYSKVPWRQJW-UHFFFAOYSA-N
XLogP11.17
TPSA67.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500726.18
LogP ≤ 511.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze cyclobutane;cyclohexane;cyclohexene;cyclopentane;cyclopropane;1,4-dioxane;morpholine;oxane;oxetane;oxolane with MolForge

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Launch Full Analysis

Related Compounds

cyclohexene;morpholine
CID 21499984
(8E)-1-oxacyclopentadec-8-ene
CID 21222299
1-oxacyclotricos-18-ene
CID 57206831
cyclohexene;oxane
CID 158692863
morpholine;oxane;piperidine
CID 143301989
1-oxa-4,16-diazacyclohenicosane
CID 66747485
cyclobutane;cycloheptane;bis(cyclohexane);cyclopentane;cyclopentene;cyclopropane;oxane
CID 158750848
cyclobutane;morpholine
CID 158402895
cyclohexane;cyclopentane;cyclopropane;oxane;oxetane;oxolane;pyrrolidine
CID 161075401
oxane;piperazine
CID 20521858
1,4,7-trioxa-10-azacyclododecane
CID 545817
azane;dioxane;morpholine
CID 88848111

Frequently Asked Questions

What is the IUPAC name of cyclobutane;cyclohexane;cyclohexene;cyclopentane;cyclopropane;1,4-dioxane;morpholine;oxane;oxetane;oxolane?
The IUPAC name of cyclobutane;cyclohexane;cyclohexene;cyclopentane;cyclopropane;1,4-dioxane;morpholine;oxane;oxetane;oxolane (CID 159317335) is cyclobutane;cyclohexane;cyclohexene;cyclopentane;cyclopropane;1,4-dioxane;morpholine;oxane;oxetane;oxolane.
What is the SMILES notation for cyclobutane;cyclohexane;cyclohexene;cyclopentane;cyclopropane;1,4-dioxane;morpholine;oxane;oxetane;oxolane?
The canonical SMILES for cyclobutane;cyclohexane;cyclohexene;cyclopentane;cyclopropane;1,4-dioxane;morpholine;oxane;oxetane;oxolane is C1=CCCCC1.C1CC1.C1CCC1.C1CCCC1.C1CCCCC1.C1CCOC1.C1CCOCC1.C1COC1.C1COCCN1.C1COCCO1.
What is the InChIKey of cyclobutane;cyclohexane;cyclohexene;cyclopentane;cyclopropane;1,4-dioxane;morpholine;oxane;oxetane;oxolane?
The InChIKey is LDHOYSKVPWRQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12.C6H10.C5H10O.C5H10.C4H9NO.C4H8O2.C4H8O.C4H8.C3H6O.C3H6/c3*1-2-4-6-5-3-1;1-2-4-5-3-1;1-3-6-4-2-5-1;1-2-6-4-3-5-1;1-2-4-5-3-1;2*1-2-4-3-1;1-2-3-1/h1-6H2;1-2H,3-6H2;1-5H2;1-5H2;5H,1-4H2;1-4H2;1-4H2;1-4H2;1-3H2;1-3H2.
What are the key properties of cyclobutane;cyclohexane;cyclohexene;cyclopentane;cyclopropane;1,4-dioxane;morpholine;oxane;oxetane;oxolane?
cyclobutane;cyclohexane;cyclohexene;cyclopentane;cyclopropane;1,4-dioxane;morpholine;oxane;oxetane;oxolane has a molecular weight of 726.18 g/mol, XLogP of 11.17, 0 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutane;cyclohexane;cyclohexene;cyclopentane;cyclopropane;1,4-dioxane;morpholine;oxane;oxetane;oxolane is sourced from PubChem (CID 159317335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).