2-Hexadecyl-1-octadecanol

CAT: 0024-sc-490830Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-490830Size:100 mg

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CAS Number

69472-23-7

Chemical Information

1-Octadecanol, 2-hexadecyl-

CAS Number	69472-23-7
PubChem CID	9827090
IUPAC Name	2-hexadecyloctadecan-1-ol
Molecular Formula	C34H70O
Molecular Weight	494.9
XLogP	16.8
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	31
Heavy Atom Count	35
Formal Charge	0
Complexity	320

SMILES

CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC)CO

InChI

InChI=1S/C34H70O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-34(33-35)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h34-35H,3-33H2,1-2H3

InChIKey

ZJGLLMWPRVWKFA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 69472-23-7

CID: 9827090

Formula: C34H70O

MW: 494.9

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	494.9
XLogP3	16.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	31
Exact Mass	494.54266685
Monoisotopic Mass	494.54266685
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	35
Formal Charge	0
Complexity	320
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

Catalog	Name
sc-473182	2-Tetradecyl-1-octadecanol
sc-213389	1-Octadecanol
sc-213389A	1-Octadecanol
sc-490834	2-Hexadecyl-1-eicosanol
sc-490987	2-Hexadecyl-octadecanoic Acid Methyl Ester
sc-490826	2-Hexadecyl-octadecanoic Acid Ethyl Ester
sc-474910	2-Hexadecyl-octadecanoic Acid Methyl-d3 Ester
sc-490828	2-Hexadecyl-octadecanoic Acid Ethyl-d5 Ester
sc-283159	2-Hexadecyl-malonic acid
sc-204950A	1-Hexadecyl Lysophosphatidic Acid