Cyclohexane, 1-ethyl-2-methyl-

Compound Structure:

Synonyms:

(1R,2S)-1-ethyl-2-methylcyclohexane; 1-Methyl-cis-2-ethylcyclohexane; Cyclohexane, 1-ethyl-2-methyl-, cis-; c-1-Ethyl-2-methylcyclohexane; cis-2-Methyl-1-ethylcyclohexane; (Z)-1-Ethyl-3-methylcyclohexane

Compound ID:

NMPC-919

PubChem ID:

6432470

Molecular Formula:

C9H18

Canonical SMILES:

CCC1CCCCC1C

InChIKey:

XARGIVYWQPXRTC-DTWKUNHWSA-N

About the compound:

Properties:

Chemical and Physical Properties

Computed Properties

Property Name	Property Value
Molecular Weight	126.24 g/mol
XLogP3-AA	4.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	1
Exact Mass	126.140850574 g/mol
Monoisotopic Mass	126.140850574 g/mol
Topological Polar Surface Area	0Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	76.1
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes
Physical Description	Liquid; [ChemSampCo MSDS]

Source: PubChem

Source Species:

Terminalia catappa

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