(R) - (+) -Citronellal 50mg

CAT: 0628-A12577-50Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0628-A12577-50Size:50 mg

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CAS Number

2385-77-5

Chemical Information

6-Octenal, 3,7-dimethyl-, (3R)-

(R)-(+)-citronellal is the (3R)-stereoisomer of 3,7-dimethyloct-6-enal (citronellal). It is an enantiomer of a (S)-(-)-citronellal.

CAS Number	2385-77-5
PubChem CID	75427
IUPAC Name	(3R)-3,7-dimethyloct-6-enal
Molecular Formula	C10H18O
Molecular Weight	154.25
XLogP	3
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	5
Heavy Atom Count	11
Formal Charge	0
Complexity	132

SMILES

C[C@H](CCC=C(C)C)CC=O

InChI

InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,8,10H,4,6-7H2,1-3H3/t10-/m1/s1

InChIKey

NEHNMFOYXAPHSD-SNVBAGLBSA-N

Chemical Structure

2D Structure

CAS: 2385-77-5

CID: 75427

Formula: C10H18O

MW: 154.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	154.25
XLogP3	3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	5
Exact Mass	154.135765193
Monoisotopic Mass	154.135765193
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	132
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