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CAT: 0926-GCA68767-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0926-GCA68767-01Size:10 mg

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CAS Number

56687-67-3

Smiles

CCCCCC1CC1CC2CC2CCCCCCCC (=O) OC

Molecular Formula

C21H38O2

Molecular Weight

322.5 g/mol

Controlled

Chemical Information

Methyl 8-[2-[(2-pentylcyclopropyl)methyl]cyclopropyl]octanoate

CAS Number	56687-67-3
PubChem CID	534623
IUPAC Name	methyl 8-[2-[(2-pentylcyclopropyl)methyl]cyclopropyl]octanoate
Molecular Formula	C21H38O2
Molecular Weight	322.5
XLogP	8
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	15
Heavy Atom Count	23
Formal Charge	0
Complexity	339

SMILES

CCCCCC1CC1CC2CC2CCCCCCCC(=O)OC

InChI

InChI=1S/C21H38O2/c1-3-4-8-11-17-14-19(17)16-20-15-18(20)12-9-6-5-7-10-13-21(22)23-2/h17-20H,3-16H2,1-2H3

InChIKey

WSVAMWHCPDAWFM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 56687-67-3

CID: 534623

Formula: C21H38O2

MW: 322.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	322.5
XLogP3	8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	15
Exact Mass	322.287180451
Monoisotopic Mass	322.287180451
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	339
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	4
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
ME-9000	ME buffer
NFA51432-01	Me 1207E
PMA26166-01	RHI002-Me
HPC46949	(Ir[Me (Me) ppy]2 (dtbpy) ) PF6
FF111338-01	Fmoc-Leu-Ser (Psi (Me, Me) pro) -OH
FF157037-01	Fmoc-Asp-Ser (Psi (Me, Me) pro) -OH
FF111365-01	Fmoc-Phe-Ser (Psi (Me, Me) Pro) -OH
FF111334-01	Fmoc-Ile-Thr (Psi (Me , Me) pro) -OH
FP89152-01	Polysiloxanes di-Me, Me 3,3,3-trifluoropropyl
FF111415-01	Fmoc-Val-Ser (Psi (Me, Me) pro) -OH