Spirambrene

CAT: 0926-WEA25167-03Size: 100 gDry Ice: NoHazardous: No

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CAT#:0926-WEA25167-03Size:100 g

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

121251-67-0

Smiles

CC1CCC2C (C2 (C) C) C13COC (OC3) (C) C

Molecular Formula

C15H26O2

Molecular Weight

238.37 g/mol

Controlled

Chemical Information

Spiro(bicyclo(4.1.0)heptane-2,5'-(1,3)dioxane), 2',2',3,7,7-pentamethyl-, (1R,3S,6S)-rel-

CAS Number	121251-67-0
PubChem CID	44152459
IUPAC Name	(1'R,3'S,6'S)-2,2,3',7',7'-pentamethylspiro[1,3-dioxane-5,2'-bicyclo[4.1.0]heptane]
Molecular Formula	C15H26O2
Molecular Weight	238.37
XLogP	3.7
Topological Polar Surface Area	18.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	17
Formal Charge	0
Complexity	322

SMILES

C[C@H]1CC[C@H]2[C@H](C2(C)C)C13COC(OC3)(C)C

InChI

InChI=1S/C15H26O2/c1-10-6-7-11-12(13(11,2)3)15(10)8-16-14(4,5)17-9-15/h10-12H,6-9H2,1-5H3/t10-,11-,12+/m0/s1

InChIKey

ORHSGDMSYGKJJY-SDDRHHMPSA-N

Chemical Structure

2D Structure

CAS: 121251-67-0

CID: 44152459

Formula: C15H26O2

MW: 238.37

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	238.37
XLogP3	3.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	238.193280068
Monoisotopic Mass	238.193280068
Topological Polar Surface Area	18.5 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	322
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes