5-Hexen-1-ol

CAT: 0607-BA9611-100000Size: 100 gDry Ice: NoHazardous: No

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CAT#:0607-BA9611-100000Size:100 g

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CAS Number

821-41-0

Form

A liquid

Molecular Formula

C6H12O

Molecular Weight

100.16

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

5-Hexen-1-ol

5-hexen-1-ol has been reported in Thymus vulgaris with data available.

CAS Number	821-41-0
PubChem CID	69963
IUPAC Name	hex-5-en-1-ol
Molecular Formula	C6H12O
Molecular Weight	100.16
XLogP	1.4
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Heavy Atom Count	7
Formal Charge	0
Complexity	41

SMILES

C=CCCCCO

InChI

InChI=1S/C6H12O/c1-2-3-4-5-6-7/h2,7H,1,3-6H2

InChIKey

UIZVMOZAXAMASY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 821-41-0

CID: 69963

Formula: C6H12O

MW: 100.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	100.16
XLogP3	1.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Exact Mass	100.088815002
Monoisotopic Mass	100.088815002
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	41.4
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