Clovanediol

CAT: 0926-CAA64964-05Size: 50 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0926-CAA64964-05Size:50 mg

Selected

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

Quick Request Actions

CAS Number

2649-64-1

MDL Number

MFCD20260763

Smiles

CC1 (CC (C23C1CCC (C2) (C (CC3) O) C) O) C

Molecular Formula

C15H26O2

Molecular Weight

238.37 g/mol

Controlled

Chemical Information

Clovanediol

Clovane-2beta,9alpha-diol is a sesquiterpenoid.

CAS Number	2649-64-1
PubChem CID	15599878
IUPAC Name	(1S,2S,5S,8R,9R)-4,4,8-trimethyltricyclo[6.3.1.01,5]dodecane-2,9-diol
Molecular Formula	C15H26O2
Molecular Weight	238.37
XLogP	2.9
Topological Polar Surface Area	40.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	17
Formal Charge	0
Complexity	338

SMILES

C[C@@]12CC[C@@H]3[C@@](C1)(CC[C@H]2O)[C@H](CC3(C)C)O

InChI

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

InChIKey

BWXJQHJHGMZLBT-OEMOEHNSSA-N

Chemical Structure

2D Structure

CAS: 2649-64-1

CID: 15599878

Formula: C15H26O2

MW: 238.37

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	238.37
XLogP3	2.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	238.193280068
Monoisotopic Mass	238.193280068
Topological Polar Surface Area	40.5 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	338
Isotope Atom Count	0
Defined Atom Stereocenter Count	5
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
MBS5762097	Clovanediol
TN5333	Clovanediol diacetate