Cyclooctyl isocyanate

CAT: 0024-sc-234467Size: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-234467Size:5 g

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CAS Number

4747-70-0

Chemical Information

Cyclooctyl isocyanate

CAS Number	4747-70-0
PubChem CID	12393370
IUPAC Name	isocyanatocyclooctane
Molecular Formula	C9H15NO
Molecular Weight	153.22
XLogP	3.9
Topological Polar Surface Area	29.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	142

SMILES

C1CCCC(CCC1)N=C=O

InChI

InChI=1S/C9H15NO/c11-8-10-9-6-4-2-1-3-5-7-9/h9H,1-7H2

InChIKey

QYKPRMWZTPVYJC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 4747-70-0

CID: 12393370

Formula: C9H15NO

MW: 153.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	153.22
XLogP3	3.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	153.115364102
Monoisotopic Mass	153.115364102
Topological Polar Surface Area	29.4 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	142
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-268812	Cyclooctyl isothiocyanate
sc-507023	1- (Cyclooctyl) piperazine
sc-234788	Diphenylmethyl isocyanate
sc-227702	Cyclohexanemethyl isocyanate
sc-257942B	Octadecyl isocyanate
sc-255690	Trichloroacetyl isocyanate
sc-227745	Decyl isocyanate
sc-236327	Pentyl isocyanate
sc-233973	Benzoyl isocyanate
sc-224340	Undecyl isocyanate

Catalog	Name
OR1022027	Cyclooctyl isothiocyanate
C32240	Cyclooctyl bromide 97%
OR6902	1- (Cyclooctyl) piperazine
MBS9022261-01	Fmoc-3-cyclooctyl-Ala-OH
OR27063	N1-cyclooctyl-2-bromo-2-phenylacetamide
RKC78464-01	2-Cyclooctyl-2-hydroxyacetic acid
RQB78037-01	2-Bromo-N-cyclooctyl-3-methylbutanamide
FC166324-01	Cyclopropyl isocyanate
FB09450-01	Benzoyl isocyanate
558097	Phenyl isocyanate