azepane;azocane;cycloheptane;cyclohexane;cyclooctane;cyclopentane;oxepane;oxocane

C52H106N2O2 — CID 157321050

IUPACazepane;azocane;cycloheptane;cyclohexane;cyclooctane;cyclopentane;oxepane;oxocane
SMILESC1CCCC1.C1CCCCC1.C1CCCCCC1.C1CCCCCCC1.C1CCCNCC1.C1CCCNCCC1.C1CCCOCC1.C1CCCOCCC1
InChIInChI=1S/C8H16.C7H15N.C7H14O.C7H14.C6H13N.C6H12O.C6H12.C5H10/c3*1-2-4-6-8-7-5-3-1;3*1-2-4-6-7-5-3-1;1-2-4-6-5-3-1;1-2-4-5-3-1/h1-8H2;8H,1-7H2;1-7H2;1-7H2;7H,1-6H2;1-6H2;1-6H2;1-5H2
InChIKeyBEDYTYXZBLYUEE-UHFFFAOYSA-N
MW791.43 g/mol
LogP16.38
Rot. Bonds

About azepane;azocane;cycloheptane;cyclohexane;cyclooctane;cyclopentane;oxepane;oxocane

azepane;azocane;cycloheptane;cyclohexane;cyclooctane;cyclopentane;oxepane;oxocane (PubChem CID 157321050) has the molecular formula C52H106N2O2 and a molecular weight of 791.43 g/mol. Its IUPAC name is azepane;azocane;cycloheptane;cyclohexane;cyclooctane;cyclopentane;oxepane;oxocane.

Molecular Properties

Compound Nameazepane;azocane;cycloheptane;cyclohexane;cyclooctane;cyclopentane;oxepane;oxocane
PubChem CID157321050
Molecular FormulaC52H106N2O2
Molecular Weight791.43 g/mol
Exact Mass790.83
IUPAC Nameazepane;azocane;cycloheptane;cyclohexane;cyclooctane;cyclopentane;oxepane;oxocane
SMILESC1CCCC1.C1CCCCC1.C1CCCCCC1.C1CCCCCCC1.C1CCCNCC1.C1CCCNCCC1.C1CCCOCC1.C1CCCOCCC1
InChIInChI=1S/C8H16.C7H15N.C7H14O.C7H14.C6H13N.C6H12O.C6H12.C5H10/c3*1-2-4-6-8-7-5-3-1;3*1-2-4-6-7-5-3-1;1-2-4-6-5-3-1;1-2-4-5-3-1/h1-8H2;8H,1-7H2;1-7H2;1-7H2;7H,1-6H2;1-6H2;1-6H2;1-5H2
InChIKeyBEDYTYXZBLYUEE-UHFFFAOYSA-N
XLogP16.38
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500791.43
LogP ≤ 516.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of azepane;azocane;cycloheptane;cyclohexane;cyclooctane;cyclopentane;oxepane;oxocane?
The IUPAC name of azepane;azocane;cycloheptane;cyclohexane;cyclooctane;cyclopentane;oxepane;oxocane (CID 157321050) is azepane;azocane;cycloheptane;cyclohexane;cyclooctane;cyclopentane;oxepane;oxocane.
What is the SMILES notation for azepane;azocane;cycloheptane;cyclohexane;cyclooctane;cyclopentane;oxepane;oxocane?
The canonical SMILES for azepane;azocane;cycloheptane;cyclohexane;cyclooctane;cyclopentane;oxepane;oxocane is C1CCCC1.C1CCCCC1.C1CCCCCC1.C1CCCCCCC1.C1CCCNCC1.C1CCCNCCC1.C1CCCOCC1.C1CCCOCCC1.
What is the InChIKey of azepane;azocane;cycloheptane;cyclohexane;cyclooctane;cyclopentane;oxepane;oxocane?
The InChIKey is BEDYTYXZBLYUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16.C7H15N.C7H14O.C7H14.C6H13N.C6H12O.C6H12.C5H10/c3*1-2-4-6-8-7-5-3-1;3*1-2-4-6-7-5-3-1;1-2-4-6-5-3-1;1-2-4-5-3-1/h1-8H2;8H,1-7H2;1-7H2;1-7H2;7H,1-6H2;1-6H2;1-6H2;1-5H2.
What are the key properties of azepane;azocane;cycloheptane;cyclohexane;cyclooctane;cyclopentane;oxepane;oxocane?
azepane;azocane;cycloheptane;cyclohexane;cyclooctane;cyclopentane;oxepane;oxocane has a molecular weight of 791.43 g/mol, XLogP of 16.38, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azepane;azocane;cycloheptane;cyclohexane;cyclooctane;cyclopentane;oxepane;oxocane is sourced from PubChem (CID 157321050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).