Hexatriacontane

CAT: 0127-OR95695-01Size: 1 gDry Ice: NoHazardous: No

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CAS Number

630-06-8

MDL Number

MFCD00009413

Purity

98%

Smiles

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC

Chemical Information

Hexatriacontane

Hexatriacontane is an alkane that has 36 carbons and a straight-chain structure.

CAS Number	630-06-8
PubChem CID	12412
IUPAC Name	hexatriacontane
Molecular Formula	C36H74
Molecular Weight	507.0
XLogP	19.1
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	33
Heavy Atom Count	36
Formal Charge	0
Complexity	312

SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C36H74/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3

InChIKey

YDLYQMBWCWFRAI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 630-06-8

CID: 12412

Formula: C36H74

MW: 507.0

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	507.0
XLogP3	19.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	33
Exact Mass	506.57905236
Monoisotopic Mass	506.57905236
Topological Polar Surface Area	0 Å²
Heavy Atom Count	36
Formal Charge	0
Complexity	312
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
TRC-N211025-10MG	Hexatriacontane
sc-228300	Hexatriacontane-d74
HY-W131353R-01	Hexatriacontane (Standard)
TRC-N211026-10MG	n-Hexatriacontane-d74
H05680-01	N-Hexatriacontane 98%
EFA04669-01	(1R,2R,5S,8S,9S,12R,14S,17R,18R,21S,24S,25S,28R,30S) -2,9,18,25-Tetramethyl-12,28-bis[ (1S) -1-[ (2S,5R) -5-methyloxolan-2-yl]ethyl]-11,2 7,33,34,35,36-hexaoxapentacyclo[28.2.1.15,8.114,17.121,24]hexatriacontane-3,10,19,26-tetrone