2-Isopropyl-1,3-Dioxepane

CAT: 1299-RG-A263078-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RG-A263078-01Size:10 mg

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CAS Number

15351-37-8

Synonyms

2-isopropyl-1,3-dioxepane

Molecular Formula

C8H16O2

Molecular Weight

144.21

Product Name Synonym

2-isopropyl-1,3-dioxepane

Chemical Information

2-(Propan-2-yl)-1,3-dioxepane

CAS Number	15351-37-8
PubChem CID	225380
IUPAC Name	2-propan-2-yl-1,3-dioxepane
Molecular Formula	C8H16O2
Molecular Weight	144.21
XLogP	1.9
Topological Polar Surface Area	18.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	10
Formal Charge	0
Complexity	83

SMILES

CC(C)C1OCCCCO1

InChI

InChI=1S/C8H16O2/c1-7(2)8-9-5-3-4-6-10-8/h7-8H,3-6H2,1-2H3

InChIKey

MFKPLBUNJMEBRQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 15351-37-8

CID: 225380

Formula: C8H16O2

MW: 144.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	144.21
XLogP3	1.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	144.115029749
Monoisotopic Mass	144.115029749
Topological Polar Surface Area	18.5 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	83.3
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
RG-P181532-01	2-Propyl-1,3-Dioxepane
RG-A262928-01	2-Isopropyl-4,7-Dihydro-1,3-Dioxepine
RG-A263330-01	(5R,6R) -2,2-dimethyl-1,3-dioxepane-5,6-diol
RG-A263396-01	Diethyl 2-Isopropyl-1,3-Dioxane-5,5-Dicarboxylate
RG-A263397-01	2-Isopropyl-1,3-Dioxane-5,5-Dicarboxylic Acid
RG-A262947-01	2- (3,4-Dimethoxyphenyl) -2-Isopropyl-3-Methylbutanenitrile
RG-A130936-01	Isopropyl 3-Aminobenzenesulfonate
RG-P022599-01	Isopropyl 3-Nitrobenzenesulfonate
RG-A263126-01	Isopropyl 2-Nitrobenzenesulfonate
RG-C081210-01	Isopropyl 2-Chloroacetate

Catalog	Name
OR200162-01	2-Methylene-1,3-dioxepane
OR97107	1,3-Dioxepane
AR-B08205-01	2-Propyl-1,3-Dioxepane
S-1721	Dioxepane - 1ML
TRC-H824160-50MG	6-Hydroxy-1,4-dioxepane-2-methanol
ZYC26644-01	6- (Bromomethyl) -1,4-dioxepane
TRC-D481430-500MG	(5R,6R)-2,2-Dimethyl-1,3-dioxepane-5,6-diol
OR92918-01	1-Isopropyl-2,3-dimethoxybenzene
AR-B06454-01	2-Isopropyl-1,3-Dimethoxybenzene
OR1065091	2-Isopropyl-1,3,2-dioxaborinane