Pinane, endo + exo

CAT: 0024-sc-355944ASize: 50 gDry Ice: NoHazardous: No

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CAT#:0024-sc-355944ASize:50 g

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CAS Number

473-55-2

Chemical Information

Pinane

Pinane is a monoterpene that is bicyclo[3.1.1]heptane substituted by methyl groups at positions 2, 6 and 6. It has a role as a plant metabolite. It is a monoterpene, a terpenoid fundamental parent and a carbobicyclic compound.

CAS Number	473-55-2
PubChem CID	10129
IUPAC Name	2,6,6-trimethylbicyclo[3.1.1]heptane
Molecular Formula	C10H18
Molecular Weight	138.25
XLogP	3.9
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Heavy Atom Count	10
Formal Charge	0
Complexity	146

SMILES

CC1CCC2CC1C2(C)C

InChI

InChI=1S/C10H18/c1-7-4-5-8-6-9(7)10(8,2)3/h7-9H,4-6H2,1-3H3

InChIKey

XOKSLPVRUOBDEW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 473-55-2

CID: 10129

Formula: C10H18

MW: 138.25

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	138.25
XLogP3	3.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	138.140850574
Monoisotopic Mass	138.140850574
Topological Polar Surface Area	0 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	146
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
287356-01	Pinane, endo+exo
TRC-C117000-1MG	3-endo-Chloro-pinane (Technical Grade)
MBS5797391	15(R)-Pinane Thromboxane A2
463202-01	PTA2 (Pinane thromboxane A2)
WCA15483-01	15 (R) -Pinane thromboxane A2
HY-E70070-01	Endo-β-N-acetylglucosaminidase (Endo A)
MD253253-2	endo-BCN-PEG2-endo-BCN
HY-E70068	Endo-β-N-acetylglucosaminidase (Endo S)
MBS1576216-01	Endo S2/Endo-beta-N-acetylglucosaminidase
275801-01	Endo-N-Benzyl-endo-3-aminotropane

Pinane, endo + exo

Chemical Information

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