Isovelleral

CAT: 0024-sc-202669ASize: 5 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-202669ASize:5 mg

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CAS Number

37841-91-1

Chemical Information

Isovelleral

Isovelleral is an aldehyde.

CAS Number	37841-91-1
PubChem CID	37839
IUPAC Name	(1aS,3aS,6aS,6bR)-5,5,6b-trimethyl-3a,4,6,6a-tetrahydro-1H-cyclopropa[e]indene-1a,2-dicarbaldehyde
Molecular Formula	C15H20O2
Molecular Weight	232.32
XLogP	2.4
Topological Polar Surface Area	34.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	17
Formal Charge	0
Complexity	434

SMILES

C[C@]12C[C@]1(C(=C[C@H]3[C@@H]2CC(C3)(C)C)C=O)C=O

InChI

InChI=1S/C15H20O2/c1-13(2)5-10-4-11(7-16)15(9-17)8-14(15,3)12(10)6-13/h4,7,9-10,12H,5-6,8H2,1-3H3/t10-,12+,14-,15-/m1/s1

InChIKey

PJAAESPGJOSQGZ-DZGBDDFRSA-N

Chemical Structure

2D Structure

CAS: 37841-91-1

CID: 37839

Formula: C15H20O2

MW: 232.32

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	232.32
XLogP3	2.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	232.146329876
Monoisotopic Mass	232.146329876
Topological Polar Surface Area	34.1 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	434
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
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
452775-01	Isovelleral
TBZ1438	10-Hydroxy-isovelleral