Nerol oxide

CAT: 0926-BAA78608-02Size: 0.25 gDry Ice: NoHazardous: No

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CAT#:0926-BAA78608-02Size:0.25 g

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CAS Number

1786-08-9

MDL Number

MFCD00468102

Molecular Formula

C10H16O

Molecular Weight

152.23 g/mol

Controlled

Chemical Information

(+-)-Nerol oxide

Nerol oxide is a member of the class of pyrans that is 3,6-dihydro-2H-pyran which is substituted at positions 2 and 4 by a 2-methylprop-1-en-1-yl group and a methyl group, respectively. It has a role as a flavouring agent, an animal metabolite and a plant metabolite. It is a monoterpenoid, a member of pyrans and an olefinic compound. It is functionally related to a nerol.

CAS Number	1786-08-9
PubChem CID	61275
IUPAC Name	4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran
Molecular Formula	C10H16O
Molecular Weight	152.23
XLogP	2.2
Topological Polar Surface Area	9.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	185

SMILES

CC1=CCOC(C1)C=C(C)C

InChI

InChI=1S/C10H16O/c1-8(2)6-10-7-9(3)4-5-11-10/h4,6,10H,5,7H2,1-3H3

InChIKey

FRISMOQHTLZZRP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1786-08-9

CID: 61275

Formula: C10H16O

MW: 152.23

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	152.23
XLogP3	2.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	152.120115130
Monoisotopic Mass	152.120115130
Topological Polar Surface Area	9.2 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	185
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
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
TRC-N390095-50G	Nerol
A22442-5000	Nerol 5g
HY-N7063S1	Nerol-d6
HY-N7063S	Nerol-d2
HY-N7063R-01	Nerol (Standard)

Nerol oxide

Chemical Information

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