nitroxyl;1-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]-4-(4-prop-1-en-2-ylphenyl)benzene

C34H49NO — CID 142282808

IUPACnitroxyl;1-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]-4-(4-prop-1-en-2-ylphenyl)benzene
SMILESC=C(C)c1ccc(-c2ccc(C3CCC(CCC4CCC(CCCCC)CC4)CC3)cc2)cc1.N=O
InChIInChI=1S/C34H48.HNO/c1-4-5-6-7-27-8-10-28(11-9-27)12-13-29-14-16-31(17-15-29)33-22-24-34(25-23-33)32-20-18-30(19-21-32)26(2)3;1-2/h18-25,27-29,31H,2,4-17H2,1,3H3;1H
InChIKeyZUSAIEZETMXGKD-UHFFFAOYSA-N
MW487.77 g/mol
LogP11.16
Rot. Bonds10

About nitroxyl;1-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]-4-(4-prop-1-en-2-ylphenyl)benzene

nitroxyl;1-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]-4-(4-prop-1-en-2-ylphenyl)benzene (PubChem CID 142282808) has the molecular formula C34H49NO and a molecular weight of 487.77 g/mol. Its IUPAC name is nitroxyl;1-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]-4-(4-prop-1-en-2-ylphenyl)benzene.

Molecular Properties

Compound Namenitroxyl;1-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]-4-(4-prop-1-en-2-ylphenyl)benzene
PubChem CID142282808
Molecular FormulaC34H49NO
Molecular Weight487.77 g/mol
Exact Mass487.38
IUPAC Namenitroxyl;1-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]-4-(4-prop-1-en-2-ylphenyl)benzene
SMILESC=C(C)c1ccc(-c2ccc(C3CCC(CCC4CCC(CCCCC)CC4)CC3)cc2)cc1.N=O
InChIInChI=1S/C34H48.HNO/c1-4-5-6-7-27-8-10-28(11-9-27)12-13-29-14-16-31(17-15-29)33-22-24-34(25-23-33)32-20-18-30(19-21-32)26(2)3;1-2/h18-25,27-29,31H,2,4-17H2,1,3H3;1H
InChIKeyZUSAIEZETMXGKD-UHFFFAOYSA-N
XLogP11.16
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.77
LogP ≤ 511.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze nitroxyl;1-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]-4-(4-prop-1-en-2-ylphenyl)benzene with MolForge

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Related Compounds

(4-prop-1-en-2-ylphenyl) 4-(4-pentylcyclohexyl)benzoate
CID 142331705
1-(4-heptylcyclohexyl)-4-[4-(4-heptylcyclohexyl)phenyl]benzene
CID 20538283
1-(4-octylcyclohexyl)-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 20538109
1-(4-hexylcyclohexyl)-4-[4-(4-hexylcyclohexyl)phenyl]benzene
CID 20538420
1-(4-decylcyclohexyl)-4-(4-methylphenyl)benzene
CID 20539068
N-[4-[4-(4-heptylcyclohexyl)phenyl]phenyl]-2-methylprop-2-enamide
CID 134245611
4-(4-heptylcyclohexyl)benzoic acid
CID 12700035
1-[4-[4-(4-nonylcyclohexyl)phenyl]phenyl]pentane-1,3-dione
CID 20503090
1-ethyl-4-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]benzene
CID 20654382
1-bromo-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 15135338
1-[4-(4-pentylcyclohexyl)phenyl]butane-1,3-dione
CID 20503164
4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]phenol
CID 142281267

Frequently Asked Questions

What is the IUPAC name of nitroxyl;1-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]-4-(4-prop-1-en-2-ylphenyl)benzene?
The IUPAC name of nitroxyl;1-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]-4-(4-prop-1-en-2-ylphenyl)benzene (CID 142282808) is nitroxyl;1-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]-4-(4-prop-1-en-2-ylphenyl)benzene.
What is the SMILES notation for nitroxyl;1-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]-4-(4-prop-1-en-2-ylphenyl)benzene?
The canonical SMILES for nitroxyl;1-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]-4-(4-prop-1-en-2-ylphenyl)benzene is C=C(C)c1ccc(-c2ccc(C3CCC(CCC4CCC(CCCCC)CC4)CC3)cc2)cc1.N=O.
What is the InChIKey of nitroxyl;1-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]-4-(4-prop-1-en-2-ylphenyl)benzene?
The InChIKey is ZUSAIEZETMXGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H48.HNO/c1-4-5-6-7-27-8-10-28(11-9-27)12-13-29-14-16-31(17-15-29)33-22-24-34(25-23-33)32-20-18-30(19-21-32)26(2)3;1-2/h18-25,27-29,31H,2,4-17H2,1,3H3;1H.
What are the key properties of nitroxyl;1-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]-4-(4-prop-1-en-2-ylphenyl)benzene?
nitroxyl;1-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]-4-(4-prop-1-en-2-ylphenyl)benzene has a molecular weight of 487.77 g/mol, XLogP of 11.16, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for nitroxyl;1-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]-4-(4-prop-1-en-2-ylphenyl)benzene is sourced from PubChem (CID 142282808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).