HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.8.0
  1. Home
  2. /Compound

8-(Oxiran-2-yl)octan-1-ol

HCID 11367262
New noteNew reactionRequest quotes
Print preview
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
127102-48-1
Standard SMILES
OCCCCCCCCC1CO1
InChIKey
ATKIKCFIUFQCNU-UHFFFAOYSA-N
Molecular formula
C10H20O2
Average molar mass
172.26 g/mol
Monoisotopic mass
172.14632988

Names & identifiers

Preferred name
8-(Oxiran-2-yl)octan-1-ol
IUPAC
8-(oxiran-2-yl)octan-1-ol

Names & synonyms

8-(oxiran-2-yl)octan-1-ol127102-48-1SCHEMBL51216ATKIKCFIUFQCNU-UHFFFAOYSA-NG39632EN300-7973619Z1896536419

Database identifiers

CAS
127102-48-1
PubChem CID
11367262
EC Number
188-164-0
Nikkaji
J202.933B

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
32.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
8
Heavy atoms
12
Formal charge
0
Complexity
104

Related reactions

1 records
New reaction record
HRID 1572743 reaction equation
HRID 1572743As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes
More actions
New noteNew reactionRequest quotes