Serratol

CAT: 0926-SCA81427-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-SCA81427-02Size:50 mg

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

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CAS Number

67814-27-1

MDL Number

MFCD16294852

Smiles

COC1=CC=CC=C1N2C=CC=C2

Molecular Formula

C20H34O

Molecular Weight

290.50 g/mol

Controlled

Chemical Information

Cembrenol

CAS Number	67814-27-1
PubChem CID	10979156
IUPAC Name	(3E,7E,11E)-4,8,12-trimethyl-1-propan-2-ylcyclotetradeca-3,7,11-trien-1-ol
Molecular Formula	C20H34O
Molecular Weight	290.5
XLogP	4.8
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	21
Formal Charge	0
Complexity	412

SMILES

C/C/1=C\CC/C(=C/CC(CC/C(=C/CC1)/C)(C(C)C)O)/C

InChI

InChI=1S/C20H34O/c1-16(2)20(21)14-12-18(4)10-6-8-17(3)9-7-11-19(5)13-15-20/h8,11-12,16,21H,6-7,9-10,13-15H2,1-5H3/b17-8+,18-12+,19-11+

InChIKey

ZVWXZFYWLABNOW-GDVLXBNMSA-N

Chemical Structure

2D Structure

CAS: 67814-27-1

CID: 10979156

Formula: C20H34O

MW: 290.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	290.5
XLogP3	4.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	290.260965704
Monoisotopic Mass	290.260965704
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	412
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	3
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
bs-75248C	Serratol