Diamantane

CAT: 0127-OR1027381-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR1027381-01Size:1 g

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CAS Number

2292-79-7

Synonyms

Pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane

MDL Number

MFCD00171301

Purity

97%

Smiles

C1C2CC3C4C1C5CC(C4)CC3C5C2

Storage Conditions

Store at 2-8°C

Chemical Information

Congressane

Diamantane is a polycyclic cage and a polycyclic alkane.

CAS Number	2292-79-7
PubChem CID	123154
IUPAC Name	pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane
Molecular Formula	C14H20
Molecular Weight	188.31
XLogP	4.4
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Heavy Atom Count	14
Formal Charge	0
Complexity	205

SMILES

C1C2CC3C4C1C5CC(C4)CC3C5C2

InChI

InChI=1S/C14H20/c1-7-2-12-10-4-8-5-11(9(1)10)13(3-7)14(12)6-8/h7-14H,1-6H2

InChIKey

ZICQBHNGXDOVJF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2292-79-7

CID: 123154

Formula: C14H20

MW: 188.31

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	188.31
XLogP3	4.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	188.156500638
Monoisotopic Mass	188.156500638
Topological Polar Surface Area	0 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	205
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-485336	Diamantane
TRC-D636730-50MG	Diamantane-1-carboxylic Acid
TRC-D636740-50MG	Diamantane-4-carboxylic Acid
TRC-D636760-25MG	Diamantane-1,4-dicarboxylic Acid
TRC-D636750-50MG	Diamantane-1,6-dicarboxylic Acid