Isocitronellene

CAT: 0926-KDA00604-03Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0926-KDA00604-03Size:100 mg

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

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CAS Number

85006-04-8

Smiles

CC (CCC=C) C=C (C) C

Molecular Formula

C10H18

Molecular Weight

138.25 g/mol

Controlled

Chemical Information

Isocitronellene

(5R)-5,7-dimethylocta-1,6-diene has been reported in Artemisia capillaris with data available.

CAS Number	85006-04-8
PubChem CID	10964588
IUPAC Name	(5R)-5,7-dimethylocta-1,6-diene
Molecular Formula	C10H18
Molecular Weight	138.25
XLogP	4.2
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	4
Heavy Atom Count	10
Formal Charge	0
Complexity	116

SMILES

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

InChI

InChI=1S/C10H18/c1-5-6-7-10(4)8-9(2)3/h5,8,10H,1,6-7H2,2-4H3/t10-/m1/s1

InChIKey

FYZHLRMYDRUDES-SNVBAGLBSA-N

Chemical Structure

2D Structure

CAS: 85006-04-8

CID: 10964588

Formula: C10H18

MW: 138.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	138.25
XLogP3	4.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	4
Exact Mass	138.140850574
Monoisotopic Mass	138.140850574
Topological Polar Surface Area	0 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	116
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

Catalog	Name
TRC-I812313-2.5MG	Isocitronellene