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CID 559558

HCID 559558
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Basic information

CAS
59741-58-1
Standard SMILES
CCCCC=CCCC=CCCCCCCO
InChIKey
ZWMPSFHVSWYKPO-UHFFFAOYSA-N
Molecular formula
C16H30O
Average molar mass
238.41 g/mol
Monoisotopic mass
238.22966558

Overview

hexadeca-7,11-dien-1-ol has been reported in Lobophytum crassum with data available.

Names & identifiers

Preferred name
CID 559558
IUPAC
hexadeca-7,11-dien-1-ol
English name
7,11-HEXADECADIEN-1-OL
Molecular formula
C16H30O
Molecular weight
238.41

Names & synonyms

SCHEMBL811708ZWMPSFHVSWYKPO-UHFFFAOYSA-N7,11-HEXADECADIEN-1-OL

Database identifiers

CAS
59741-58-1
PubChem CID
559558

Properties

Computed structural propertiesFilling in

XLogP
5.4
Topological polar surface area
20.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
12
Heavy atoms
17
Formal charge
0
Complexity
182

Physicochemical properties

Boiling point
339.2 · 339.2±21.0 °C(Predicted)
Density
0.859 · 0.859±0.06 g/cm3(Predicted)
pka
15.19 · 15.19±0.10(Predicted)

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Related reactions

2 records
New reaction record
HRID 64596 reaction equation
HRID 64596As productuspto-grants-1986_09
HRID 1789252 reaction equation
HRID 1789252As productuspto-grants-1987_08

Compound notes

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