Spiro[5.6]dodecan-7-one

CAT: 0926-EAA72890-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-EAA72890-01Size:50 mg

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CAS Number

4728-90-9

MDL Number

MFCD09865695

Smiles

C1CCC (=O) C2 (CC1) CCCCC2

Molecular Formula

C12H20O

Molecular Weight

180.29 g/mol

Controlled

Chemical Information

Spiro(5.6)dodecan-7-one

CAS Number	4728-90-9
PubChem CID	282264
IUPAC Name	spiro[5.6]dodecan-12-one
Molecular Formula	C12H20O
Molecular Weight	180.29
XLogP	3.4
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	13
Formal Charge	0
Complexity	189

SMILES

C1CCC(=O)C2(CC1)CCCCC2

InChI

InChI=1S/C12H20O/c13-11-7-3-1-4-8-12(11)9-5-2-6-10-12/h1-10H2

InChIKey

KCDWPGLRMHNEPK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 4728-90-9

CID: 282264

Formula: C12H20O

MW: 180.29

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	180.29
XLogP3	3.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	180.151415257
Monoisotopic Mass	180.151415257
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	189
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
FFA06592-01	Spiro[5.6]dodecan-3-one
KHD05754-01	3-Oxa-7,10-diazaspiro[5.6]dodecan-11-one
QAA81121-01	Spiro[2.5]octan-6-one
FS122046-01	Spiro[4.5]decan-6-one
KCA03338-01	Spiro[5.6]dodec-1-en-3-one
ACA78204-01	Spiro[3.4]oct-7-en-6-one
DPD83267-01	1-{3-Oxa-7,10-diazaspiro[5.6]dodecan-7-yl}ethan-1-one hydrochloride
YCA22332-01	Spiro[4.6]undecan-6-one
PAA52353-01	Spiro[4.5]dec-6-en-8-one
MKD48434-01	1,4-Dioxa-9-azaspiro[5.6]dodecan-10-one

Catalog	Name
JH251190	Spiro[3.5]nonan-7-one
OR86655-01	Spiro[4.5]decan-7-one
OR1043324-01	Spiro[3.5]nonan-6-one
sc-338594	Spiro[4.5]decan-6-one
TRC-S699595-1G	Spiro[2.5]octan-6-one
sc-357875	5,7-Dioxa-6-thia-spiro[2,5]octane-6-oxide
sc-358014A	7,12-Dioxa-spiro[5.6]dodec-9-ene
OR1069328-01	Spiro[2.5]octane-5,7-dione
sc-268343	7-Aminomethyl-spiro[3.5]nonane
GTR19278214-01	1- (2,4,6-trihydroxyphenyl) dodecan-1-one