1-Octyn-3-ol, 3,6-dimethyl-

HCID 174244
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
81708-87-4
Standard SMILES
C#CC(C)(O)CCC(C)CC
InChIKey
RCNQUZFTDSPUSO-UHFFFAOYSA-N
Molecular formula
C10H18O
Average molar mass
154.25 g/mol
Monoisotopic mass
154.1357652

Names & identifiers

Preferred name
1-Octyn-3-ol, 3,6-dimethyl-
IUPAC
3,6-dimethyloct-1-yn-3-ol
English name
1-Octyn-3-ol, 3,6-dimethyl-
Molecular formula
C10H18O
Molecular weight
154.25

Names & synonyms

1-Octyn-3-ol, 3,6-dimethyl-3,6-Dimethyl-1-octyn-3-ol81708-87-4DTXSID60868623RefChem:76789DTXCID90816713617-253-33,6-dimethyloct-1-yn-3-ol3,6-Dimethyl-oct-1-yn-3ol3,6-dimethyl-oct-1-yn-3-olSCHEMBL11129394

Database identifiers

CAS
81708-87-4
PubChem CID
174244
DTXSID
DTXSID60868623
EC Number
617-253-3
Nikkaji
J1.587.721I

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
20.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
5
Heavy atoms
11

Physicochemical properties

EPA Substance Registry System
1 · 1-Octyn-3-ol, 3,6-dimethyl- (81708-87-4)
TSCA
TSCA listed

Safety & regulation

Hazard information

Regulatory Information · 2 items

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

1-Octyn-3-ol, 3,6-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard

Safety data

tsca
TSCA listed

Chemistry & industry

Uses & manufacturing

General Manufacturing Information1-Octyn-3-ol, 3,6-dimethyl-: ACTIVE

Related reactions

7 records
New reaction record

Compound notes

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