Octa-3,4-dien-1-ol

CAT: 0127-OR1032287-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1032287-01Size:100 mg

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

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CAS Number

54795-23-2

Purity

98%

Smiles

CCCC=C=CCCO

Chemical Information

Octa-3,4-dien-1-ol

CAS Number	54795-23-2
PubChem CID	12507027
IUPAC Name	octa-3,4-dien-1-ol
Molecular Formula	C8H14O
Molecular Weight	126.20
XLogP	1.5
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	99

SMILES

CCCC=C=CCCO

InChI

InChI=1S/C8H14O/c1-2-3-4-5-6-7-8-9/h4,6,9H,2-3,7-8H2,1H3

InChIKey

GQDLIAUAJPOYIL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 54795-23-2

CID: 12507027

Formula: C8H14O

MW: 126.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	126.20
XLogP3	1.5
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	99.1
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

Catalog	Name
MT07350-01	4,5,6-Tri-O-benzyl-3-benzyloxymethyl-octa-1,7-dien-3-ol
sc-477393A	(Z) -Octa-1,5-dien-3-one
TRC-O235830-50MG	(Z)-Octa-1,5-dien-3-one
469136	(Z) -Octa-1,5-dien-3-one discontinued
AR-C03992-01	Cholesta-4,6-dien-3?-ol
159406	2-Azabicyclo[4.2.0]octa-4,6 (1) -dien-3-one
sc-504783	(3β) -Cholesta-4,6-dien-3-ol
TRC-O235830-100MG	(Z)-Octa-1,5-dien-3-one (~0.1% Hydroquinone)
TRC-C292700-5MG	(3Beta)-Cholesta-4,6-dien-3-ol
CFA11608-01	3,4,7-Trimethylocta-2,6-dien-1-ol