(4-cyclododecylphenyl) cyanate

C19H27NO — CID 142705601

IUPAC(4-cyclododecylphenyl) cyanate
SMILESN#COc1ccc(C2CCCCCCCCCCC2)cc1
InChIInChI=1S/C19H27NO/c20-16-21-19-14-12-18(13-15-19)17-10-8-6-4-2-1-3-5-7-9-11-17/h12-15,17H,1-11H2
InChIKeyYSVOFUDITYTTTN-UHFFFAOYSA-N
MW285.43 g/mol
LogP5.93
Rot. Bonds2

About (4-cyclododecylphenyl) cyanate

(4-cyclododecylphenyl) cyanate (PubChem CID 142705601) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is (4-cyclododecylphenyl) cyanate.

Molecular Properties

Compound Name(4-cyclododecylphenyl) cyanate
PubChem CID142705601
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC Name(4-cyclododecylphenyl) cyanate
SMILESN#COc1ccc(C2CCCCCCCCCCC2)cc1
InChIInChI=1S/C19H27NO/c20-16-21-19-14-12-18(13-15-19)17-10-8-6-4-2-1-3-5-7-9-11-17/h12-15,17H,1-11H2
InChIKeyYSVOFUDITYTTTN-UHFFFAOYSA-N
XLogP5.93
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.43
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Related Compounds

1-cyclohexyl-4-ethenoxybenzene
CID 67464363
(4-cyclohexylphenoxy)-dimethylsulfanium
CID 139727859
1-(chloromethoxy)-4-cyclohexylbenzene
CID 166607753
(4-cyclohexylphenyl) dihydrogen phosphite
CID 20525486
bromomethane;1-cyclopentyl-4-methoxybenzene
CID 160663013
acetonitrile;cyclohexylbenzene
CID 141289539
(4-cyanophenyl) 4-cyclohexylbenzoate
CID 139383045
2-(4-cyclohexylphenoxy)ethanamine
CID 542015
2-(4-cyclohexylphenoxy)ethylazanium
CID 7273660
1-cyclohexyl-4-(2-phenoxyethoxy)benzene
CID 14047825
1-cyclohexyl-4-(methoxymethoxy)benzene
CID 143461597
1-cyclohexyl-4-(4-methoxyphenyl)benzene;ethene
CID 144983864

Frequently Asked Questions

What is the IUPAC name of (4-cyclododecylphenyl) cyanate?
The IUPAC name of (4-cyclododecylphenyl) cyanate (CID 142705601) is (4-cyclododecylphenyl) cyanate.
What is the SMILES notation for (4-cyclododecylphenyl) cyanate?
The canonical SMILES for (4-cyclododecylphenyl) cyanate is N#COc1ccc(C2CCCCCCCCCCC2)cc1.
What is the InChIKey of (4-cyclododecylphenyl) cyanate?
The InChIKey is YSVOFUDITYTTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO/c20-16-21-19-14-12-18(13-15-19)17-10-8-6-4-2-1-3-5-7-9-11-17/h12-15,17H,1-11H2.
What are the key properties of (4-cyclododecylphenyl) cyanate?
(4-cyclododecylphenyl) cyanate has a molecular weight of 285.43 g/mol, XLogP of 5.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclododecylphenyl) cyanate is sourced from PubChem (CID 142705601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).