|
OCT : Summary
Code
|
OCT
|
One-letter code
|
X
|
Molecule name
|
N-OCTANE
|
Systematic names
|
|
Formula
|
C8 H18
|
Formal charge
|
0
|
Molecular weight
|
114.229 Da
|
SMILES
|
Type | Program | Version | Descriptor |
SMILES
|
ACDLabs |
10.04 |
CCCCCCCC |
SMILES
|
CACTVS |
3.341 |
CCCCCCCC |
SMILES
|
OpenEye OEToolkits |
1.5.0 |
CCCCCCCC |
Canonical SMILES
|
CACTVS |
3.341 |
CCCCCCCC |
Canonical SMILES
|
OpenEye OEToolkits |
1.5.0 |
CCCCCCCC |
|
IUPAC InChI | InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3 |
IUPAC InChI key | TVMXDCGIABBOFY-UHFFFAOYSA-N |
|
wwPDB Information |
Atom count
|
26 (8 without Hydrogen)
|
Polymer type
|
Bound ligand
|
Type description
|
NON-POLYMER
|
Type code
|
HETAIN
|
Is modified
|
No
|
Standard parent
|
Not Assigned
|
Defined at
|
1999-07-08
|
Last modified at
|
2024-09-27
|
Status
|
Released
|
Obsoleted
|
Not Assigned
|
|