Dihydrocapsiate

CAT: 1596-AR-V07183-01Size: 250 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-V07183-01Size:250 Units

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CAS Number

205687-03-2

Synonyms

Dihydrocapsiate, 8-Methylnonanoic Acid (4-Hydroxy-3-methoxyphenyl) methyl Ester

Molecular Formula

C18H28O4

Molecular Weight

308.42

API Name

Vanillin

Chemical Information

Dihydrocapsiate

Dihydrocapsiate is a member of phenols and a member of methoxybenzenes.

CAS Number	205687-03-2
PubChem CID	9873754
IUPAC Name	(4-hydroxy-3-methoxyphenyl)methyl 8-methylnonanoate
Molecular Formula	C18H28O4
Molecular Weight	308.4
XLogP	5
Topological Polar Surface Area	55.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	11
Heavy Atom Count	22
Formal Charge	0
Complexity	303

SMILES

CC(C)CCCCCCC(=O)OCC1=CC(=C(C=C1)O)OC

InChI

InChI=1S/C18H28O4/c1-14(2)8-6-4-5-7-9-18(20)22-13-15-10-11-16(19)17(12-15)21-3/h10-12,14,19H,4-9,13H2,1-3H3

InChIKey

RBCYRZPENADQGZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 205687-03-2

CID: 9873754

Formula: C18H28O4

MW: 308.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	308.4
XLogP3	5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	11
Exact Mass	308.19875937
Monoisotopic Mass	308.19875937
Topological Polar Surface Area	55.8 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	303
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes