1-isopropoxycyclohex-1-ene

CAT: 1299-RG-B212066-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RG-B212066-01Size:10 mg

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CAS Number

57899-54-4

Synonyms

1-isopropoxycyclohex-1-ene

Molecular Formula

C9H16O

Molecular Weight

140.23

Product Name Synonym

1-isopropoxycyclohex-1-ene

Chemical Information

1-Isopropoxycyclohexene

See also: Cyclohexene, 1-(1-methylethoxy)- (annotation moved to).

CAS Number	57899-54-4
PubChem CID	4366136
IUPAC Name	1-propan-2-yloxycyclohexene
Molecular Formula	C9H16O
Molecular Weight	140.22
XLogP	2.8
Topological Polar Surface Area	9.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	10
Formal Charge	0
Complexity	125

SMILES

CC(C)OC1=CCCCC1

InChI

InChI=1S/C9H16O/c1-8(2)10-9-6-4-3-5-7-9/h6,8H,3-5,7H2,1-2H3

InChIKey

AZDWLUXNJQFOCU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 57899-54-4

CID: 4366136

Formula: C9H16O

MW: 140.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	140.22
XLogP3	2.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	140.120115130
Monoisotopic Mass	140.120115130
Topological Polar Surface Area	9.2 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	125
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