α-Sinensal

CAT: 0926-SAA90977-02Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0926-SAA90977-02Size:10 mg

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CAS Number

17909-77-2

Smiles

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

Molecular Formula

C15H22O

Molecular Weight

218.33 g/mol

Controlled

Chemical Information

alpha-Sinensal

Alpha-Sinensal is a sesquiterpenoid.

CAS Number	17909-77-2
PubChem CID	5281534
IUPAC Name	(2E,6E,9E)-2,6,10-trimethyldodeca-2,6,9,11-tetraenal
Molecular Formula	C15H22O
Molecular Weight	218.33
XLogP	4.8
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	7
Heavy Atom Count	16
Formal Charge	0
Complexity	316

SMILES

C/C(=C\C/C=C(\C)/C=C)/CC/C=C(\C)/C=O

InChI

InChI=1S/C15H22O/c1-5-13(2)8-6-9-14(3)10-7-11-15(4)12-16/h5,8-9,11-12H,1,6-7,10H2,2-4H3/b13-8+,14-9+,15-11+

InChIKey

PFSTYGCNVAVZBK-JQGMZEBDSA-N

Chemical Structure

2D Structure

CAS: 17909-77-2

CID: 5281534

Formula: C15H22O

MW: 218.33

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	218.33
XLogP3	4.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	7
Exact Mass	218.167065321
Monoisotopic Mass	218.167065321
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	316
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	3
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
DBA18990-01	Sinensin