Limonene diepoxide

Compound Structure:

Synonyms:

1-methyl-4-(2-methyloxiran-2-yl)-7-oxabicyclo[4.1.0]heptane; Limonene dioxide; Dipentene dioxide; Limonene diepoxide; Dipentene oxide; Dipentene diepoxide; 1,2,8,9-Diepoxylimonene; p-Menthane, 1,2:8,9-diepoxy-; diepoxylimonene; Menthane, 1,2:8,9-diepoxy-

Compound ID:

NMPC-1200

PubChem ID:

232703

Molecular Formula:

C10H16O2

Canonical SMILES:

CC12CCC(CC1O2)C3(CO3)C

InChIKey:

RBHIUNHSNSQJNG-UHFFFAOYSA-N

About the compound:

Properties:

Chemical and Physical Properties

Property Name	Property Value
Molecular Weight	168.23 g/mol
XLogP3-AA	1.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	168.115029749 g/mol
Monoisotopic Mass	168.115029749 g/mol
Topological Polar Surface Area	25.1Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	228
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	4
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes
Physical Description	Colorless liquid with an odor of methanol; [HSDB]
Boiling Point	242 °C
Melting Point	Freezing Point: -100 °C
Density	1.0287 @ 20 °C/4 °C
Solubility	Slightly Sol In Water; Miscible With Methanol And Benzene; Miscible With Carbon Tetrachloride And Hexane
Vapor Pressure	0.02 [mmHg]

Source: PubChem

Source Species:

Cymbopogon citratus

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