2-Octyl-1-dodecanol

CAT: 0024-sc-230611Size: 25 mLDry Ice: NoHazardous: No

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CAT#:0024-sc-230611Size:25 mL

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CAS Number

5333-42-6

Chemical Information

2-Octyldodecanol

structure in first source

CAS Number	5333-42-6
PubChem CID	21414
IUPAC Name	2-octyldodecan-1-ol
Molecular Formula	C20H42O
Molecular Weight	298.5
XLogP	9.2
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	17
Heavy Atom Count	21
Formal Charge	0
Complexity	179

SMILES

CCCCCCCCCCC(CCCCCCCC)CO

InChI

InChI=1S/C20H42O/c1-3-5-7-9-11-12-14-16-18-20(19-21)17-15-13-10-8-6-4-2/h20-21H,3-19H2,1-2H3

InChIKey

LEACJMVNYZDSKR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 5333-42-6

CID: 21414

Formula: C20H42O

MW: 298.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	298.5
XLogP3	9.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	17
Exact Mass	298.323565959
Monoisotopic Mass	298.323565959
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	179
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR1030703-01	2-Octyl-1-Dodecanol
433307	4-Octyl-1-dodecanol
O01875-01	2-Octyl dodecanol 97%
HY-W142410-01	2-Dodecanol
RG-E141445-01	2-Methyl-1-dodecanol
20119-92	1-Dodecanol
TRC-H281420-500MG	2-Hexyl-1-dodecanol
RM-O032203-01	1-Dodecanol, 2-hexyl
FT102970	1,1,2,2-Tetrahydroperfluoro dodecanol