Trans-C75

CAT: 0127-BUP02417-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP02417-01Size:5 mg

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CAS Number

191282-48-1

Synonyms

(±) -C75

Purity

=98%

Smiles

CCCCCCCC[C@H]1OC(=O)C(=C)[C@@H]1C(O)=O

Chemical Information

(2R,3S)-C75

(2R,3S)-C75 is a 4-methylidene-2-octyl-5-oxotetrahydrofuran-3-carboxylic acid that has 2R,3S-configuration. It is an enantiomer of a (2S,3R)-C75.

CAS Number	191282-48-1
PubChem CID	9881506
IUPAC Name	(2R,3S)-4-methylidene-2-octyl-5-oxooxolane-3-carboxylic acid
Molecular Formula	C14H22O4
Molecular Weight	254.32
XLogP	4
Topological Polar Surface Area	63.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	8
Heavy Atom Count	18
Formal Charge	0
Complexity	322

SMILES

CCCCCCCC[C@@H]1[C@H](C(=C)C(=O)O1)C(=O)O

InChI

InChI=1S/C14H22O4/c1-3-4-5-6-7-8-9-11-12(13(15)16)10(2)14(17)18-11/h11-12H,2-9H2,1H3,(H,15,16)/t11-,12+/m1/s1

InChIKey

VCWLZDVWHQVAJU-NEPJUHHUSA-N

Chemical Structure

2D Structure

CAS: 191282-48-1

CID: 9881506

Formula: C14H22O4

MW: 254.32

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	254.32
XLogP3	4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	8
Exact Mass	254.15180918
Monoisotopic Mass	254.15180918
Topological Polar Surface Area	63.6 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	322
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

Catalog	Name
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BUP18912	Trans, trans-2,4-Decadienal
OR1024777	Trans, Trans-2,4-Undecadienal
OR1070612-01	Trans, trans-2,6-Nonadienal
OR1015247-01	Trans, Trans-1,4-Distyrylbenzene
OR1015249-01	Trans, trans-2,4-Nonadienal
OR1015278-01	Trans-4- (Trans-4-Pentylcyclohexyl) Cyclohexanol