3-Octyn-1-ol

CAT: 0127-OR5517-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-OR5517-01Size:5 g

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

14916-80-4

MDL Number

MFCD00039552

Purity

98%

Smiles

CCCCC#CCCO

Chemical Information

3-Octyn-1-ol

CAS Number	14916-80-4
PubChem CID	84694
IUPAC Name	oct-3-yn-1-ol
Molecular Formula	C8H14O
Molecular Weight	126.20
XLogP	2.1
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Heavy Atom Count	9
Formal Charge	0
Complexity	104

SMILES

CCCCC#CCCO

InChI

InChI=1S/C8H14O/c1-2-3-4-5-6-7-8-9/h9H,2-4,7-8H2,1H3

InChIKey

LRZGRGVRZSDRTK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 14916-80-4

CID: 84694

Formula: C8H14O

MW: 126.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	126.20
XLogP3	2.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	126.104465066
Monoisotopic Mass	126.104465066
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	104
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes