cyclohexane;cyclopentane;cyclopropane;oxane;oxetane;oxolane;pyrrolidine

C35H71NO4 — CID 161075401

IUPACcyclohexane;cyclopentane;cyclopropane;oxane;oxetane;oxolane;pyrrolidine
SMILESC1CC1.C1CCCC1.C1CCCCC1.C1CCNC1.C1CCOC1.C1CCOCC1.C1CCOCC1.C1COC1
InChIInChI=1S/C6H12.2C5H10O.C5H10.C4H9N.C4H8O.C3H6O.C3H6/c3*1-2-4-6-5-3-1;3*1-2-4-5-3-1;1-2-4-3-1;1-2-3-1/h1-6H2;2*1-5H2;1-5H2;5H,1-4H2;1-4H2;1-3H2;1-3H2
InChIKeyUFEWNSNZULAIJB-UHFFFAOYSA-N
MW569.96 g/mol
LogP9.41
Rot. Bonds

About cyclohexane;cyclopentane;cyclopropane;oxane;oxetane;oxolane;pyrrolidine

cyclohexane;cyclopentane;cyclopropane;oxane;oxetane;oxolane;pyrrolidine (PubChem CID 161075401) has the molecular formula C35H71NO4 and a molecular weight of 569.96 g/mol. Its IUPAC name is cyclohexane;cyclopentane;cyclopropane;oxane;oxetane;oxolane;pyrrolidine.

Molecular Properties

Compound Namecyclohexane;cyclopentane;cyclopropane;oxane;oxetane;oxolane;pyrrolidine
PubChem CID161075401
Molecular FormulaC35H71NO4
Molecular Weight569.96 g/mol
Exact Mass569.54
IUPAC Namecyclohexane;cyclopentane;cyclopropane;oxane;oxetane;oxolane;pyrrolidine
SMILESC1CC1.C1CCCC1.C1CCCCC1.C1CCNC1.C1CCOC1.C1CCOCC1.C1CCOCC1.C1COC1
InChIInChI=1S/C6H12.2C5H10O.C5H10.C4H9N.C4H8O.C3H6O.C3H6/c3*1-2-4-6-5-3-1;3*1-2-4-5-3-1;1-2-4-3-1;1-2-3-1/h1-6H2;2*1-5H2;1-5H2;5H,1-4H2;1-4H2;1-3H2;1-3H2
InChIKeyUFEWNSNZULAIJB-UHFFFAOYSA-N
XLogP9.41
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.96
LogP ≤ 59.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of cyclohexane;cyclopentane;cyclopropane;oxane;oxetane;oxolane;pyrrolidine?
The IUPAC name of cyclohexane;cyclopentane;cyclopropane;oxane;oxetane;oxolane;pyrrolidine (CID 161075401) is cyclohexane;cyclopentane;cyclopropane;oxane;oxetane;oxolane;pyrrolidine.
What is the SMILES notation for cyclohexane;cyclopentane;cyclopropane;oxane;oxetane;oxolane;pyrrolidine?
The canonical SMILES for cyclohexane;cyclopentane;cyclopropane;oxane;oxetane;oxolane;pyrrolidine is C1CC1.C1CCCC1.C1CCCCC1.C1CCNC1.C1CCOC1.C1CCOCC1.C1CCOCC1.C1COC1.
What is the InChIKey of cyclohexane;cyclopentane;cyclopropane;oxane;oxetane;oxolane;pyrrolidine?
The InChIKey is UFEWNSNZULAIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12.2C5H10O.C5H10.C4H9N.C4H8O.C3H6O.C3H6/c3*1-2-4-6-5-3-1;3*1-2-4-5-3-1;1-2-4-3-1;1-2-3-1/h1-6H2;2*1-5H2;1-5H2;5H,1-4H2;1-4H2;1-3H2;1-3H2.
What are the key properties of cyclohexane;cyclopentane;cyclopropane;oxane;oxetane;oxolane;pyrrolidine?
cyclohexane;cyclopentane;cyclopropane;oxane;oxetane;oxolane;pyrrolidine has a molecular weight of 569.96 g/mol, XLogP of 9.41, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane;cyclopentane;cyclopropane;oxane;oxetane;oxolane;pyrrolidine is sourced from PubChem (CID 161075401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).