HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
Huagongshe Open Program：[email protected]AI access: llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.7.8
  1. Home
  2. /Compound

7-(4-Octylphenyl)hept-5-YN-1-OL

HCID 20488018
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
88255-16-7
Standard SMILES
CCCCCCCCc1ccc(CC#CCCCCO)cc1
InChIKey
ZBXNSAGPFVRJEY-UHFFFAOYSA-N
Molecular formula
C21H32O
Average molar mass
300.5 g/mol
Monoisotopic mass
300.24531564

Names & identifiers

Preferred name
7-(4-Octylphenyl)hept-5-YN-1-OL
IUPAC
7-(4-octylphenyl)hept-5-yn-1-ol

Names & synonyms

88255-16-77-(4-OCTYLPHENYL)HEPT-5-YN-1-OLSCHEMBL11144248DTXSID80607995ZBXNSAGPFVRJEY-UHFFFAOYSA-N7-[p-(n-octyl)phenyl]-5-heptyn-1-ol

Database identifiers

CAS
88255-16-7
PubChem CID
20488018
DTXSID
DTXSID80607995

Properties

Computed structural properties

XLogP
6.9
Topological polar surface area
20.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
11
Heavy atoms
22
Formal charge
0
Complexity
300

Related reactions

4 records
New reaction record
HRID 156851 reaction equation
HRID 156851As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 205672 reaction equation
HRID 205672As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 1995776 reaction equation
HRID 1995776As productuspto-grants-1983_09
HRID 1995777 reaction equation
HRID 1995777As reactantuspto-grants-1983_09

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes