(-) -a-Copaene

CAT: 0926-FA29501-01Size: 1 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0926-FA29501-01Size:1 mg

Selected

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

Quick Request Actions

CAS Number

3856-25-5

Synonyms

Alpha copaene

Smiles

CC1=CCC2C3C1C2 (CCC3C (C) C) C

Molecular Formula

C15H24

Molecular Weight

204.35 g/mol

Controlled

Chemical Information

Copaene

alpha-copaene has been reported in Perilla frutescens, Dendropanax trifidus, and other organisms with data available.

CAS Number	3856-25-5
PubChem CID	12303902
IUPAC Name	(1R,2S,6S,7S,8S)-1,3-dimethyl-8-propan-2-yltricyclo[4.4.0.02,7]dec-3-ene
Molecular Formula	C15H24
Molecular Weight	204.35
XLogP	4.5
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	1
Heavy Atom Count	15
Formal Charge	0
Complexity	312

SMILES

CC1=CC[C@H]2[C@H]3[C@@H]1[C@@]2(CC[C@H]3C(C)C)C

InChI

InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h5,9,11-14H,6-8H2,1-4H3/t11-,12-,13-,14+,15+/m0/s1

InChIKey

VLXDPFLIRFYIME-BTFPBAQTSA-N

Chemical Structure

2D Structure

CAS: 3856-25-5

CID: 12303902

Formula: C15H24

MW: 204.35

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	204.35
XLogP3	4.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	1
Exact Mass	204.187800766
Monoisotopic Mass	204.187800766
Topological Polar Surface Area	0 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	312
Isotope Atom Count	0
Defined Atom Stereocenter Count	5
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes