(S) -1-Octyn-3-ol

CAT: 0127-OR924917-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR924917-01Size:1 g

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

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CAS Number

32556-71-1

MDL Number

MFCD00191475

Purity

97%

Smiles

CCCCC[C@H](O)C#C

Chemical Information

1-Octyn-3-ol, (3S)-

CAS Number	32556-71-1
PubChem CID	2734534
IUPAC Name	(3S)-oct-1-yn-3-ol
Molecular Formula	C8H14O
Molecular Weight	126.20
XLogP	2
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Heavy Atom Count	9
Formal Charge	0
Complexity	98

SMILES

CCCCC[C@@H](C#C)O

InChI

InChI=1S/C8H14O/c1-3-5-6-7-8(9)4-2/h2,8-9H,3,5-7H2,1H3/t8-/m1/s1

InChIKey

VUGRNZHKYVHZSN-MRVPVSSYSA-N

Chemical Structure

2D Structure

CAS: 32556-71-1

CID: 2734534

Formula: C8H14O

MW: 126.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	126.20
XLogP3	2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Exact Mass	126.104465066
Monoisotopic Mass	126.104465066
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	98.4
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes