2-Heptyl-1,3-Dioxolane

CAT: 0127-OR1024917-01Size: 1 gDry Ice: NoHazardous: No

1 / 1

CAT#:0127-OR1024917-01Size:1 g

Selected

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

Quick Request Actions

CAS Number

4359-57-3

Synonyms

2-heptyl-1,3-dioxolane

Purity

98%

Smiles

CCCCCCCC1OCCO1

Chemical Information

1,3-Dioxolane, 2-heptyl-

CAS Number	4359-57-3
PubChem CID	78067
IUPAC Name	2-heptyl-1,3-dioxolane
Molecular Formula	C10H20O2
Molecular Weight	172.26
XLogP	3.3
Topological Polar Surface Area	18.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Heavy Atom Count	12
Formal Charge	0
Complexity	98

SMILES

CCCCCCCC1OCCO1

InChI

InChI=1S/C10H20O2/c1-2-3-4-5-6-7-10-11-8-9-12-10/h10H,2-9H2,1H3

InChIKey

LWJBQKKNODYJEI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 4359-57-3

CID: 78067

Formula: C10H20O2

MW: 172.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	172.26
XLogP3	3.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Exact Mass	172.146329876
Monoisotopic Mass	172.146329876
Topological Polar Surface Area	18.5 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	98
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