Lindestrene

CAT: 1596-AR-F11061-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-F11061-02Size:25 Units

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CAS Number

2221-88-7

Molecular Formula

C15H18O

Molecular Weight

214.31

API Name

Furan

Chemical Information

Lindestrene

Lindestrene has been reported in Commiphora mukul, Commiphora myrrha, and other organisms with data available.

CAS Number	2221-88-7
PubChem CID	12311270
IUPAC Name	(4aS,8aS)-3,8a-dimethyl-5-methylidene-4,4a,6,9-tetrahydrobenzo[f][1]benzofuran
Molecular Formula	C15H18O
Molecular Weight	214.30
XLogP	3.7
Topological Polar Surface Area	13.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	16
Formal Charge	0
Complexity	343

SMILES

CC1=COC2=C1C[C@H]3C(=C)CC=C[C@@]3(C2)C

InChI

InChI=1S/C15H18O/c1-10-5-4-6-15(3)8-14-12(7-13(10)15)11(2)9-16-14/h4,6,9,13H,1,5,7-8H2,2-3H3/t13-,15+/m0/s1

InChIKey

BZQURGSQMBBPRU-DZGCQCFKSA-N

Chemical Structure

2D Structure

CAS: 2221-88-7

CID: 12311270

Formula: C15H18O

MW: 214.30

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	214.30
XLogP3	3.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	214.135765193
Monoisotopic Mass	214.135765193
Topological Polar Surface Area	13.1 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	343
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes