Squalane

CAT: 1489-S5960-02Size: 25 mLDry Ice: NoHazardous: No

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CAT#:1489-S5960-02Size:25 mL

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

111-01-3

Purity

0.98

Chemical Information

Squalane

squalane has been reported in Murraya paniculata with data available.

CAS Number	111-01-3
PubChem CID	8089
IUPAC Name	2,6,10,15,19,23-hexamethyltetracosane
Molecular Formula	C30H62
Molecular Weight	422.8
XLogP	14.7
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	21
Heavy Atom Count	30
Formal Charge	0
Complexity	308

SMILES

CC(C)CCCC(C)CCCC(C)CCCCC(C)CCCC(C)CCCC(C)C

InChI

InChI=1S/C30H62/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h25-30H,9-24H2,1-8H3

InChIKey

PRAKJMSDJKAYCZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 111-01-3

CID: 8089

Formula: C30H62

MW: 422.8

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	422.8
XLogP3	14.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	21
Exact Mass	422.485151978
Monoisotopic Mass	422.485151978
Topological Polar Surface Area	0 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	308
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
466457-01	Squalane