Hexamethyleneoxide

CAT: 0127-OR1030552-01Size: 1 mLDry Ice: NoHazardous: No

1 / 1

CAT#:0127-OR1030552-01Size:1 mL

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

592-90-5

Synonyms

Oxepane

Purity

98%

Smiles

C1CCCOCC1

Chemical Information

Oxepane

Oxepane is a saturated organic heteromonocyclic parent that is cycloheptane in which one of the methylene groups is replaced by oxygen. It is a saturated organic heteromonocyclic parent and a cyclic ether.

CAS Number	592-90-5
PubChem CID	11618
IUPAC Name	oxepane
Molecular Formula	C6H12O
Molecular Weight	100.16
XLogP	1.3
Topological Polar Surface Area	9.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	7
Formal Charge	0
Complexity	37

SMILES

C1CCCOCC1

InChI

InChI=1S/C6H12O/c1-2-4-6-7-5-3-1/h1-6H2

InChIKey

UHHKSVZZTYJVEG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 592-90-5

CID: 11618

Formula: C6H12O

MW: 100.16

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	100.16
XLogP3	1.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	100.088815002
Monoisotopic Mass	100.088815002
Topological Polar Surface Area	9.2 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	37.4
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

Hexamethyleneoxide

Chemical Information

Popular Products