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1-ethynyl-1-methoxycyclohexane

1-ethynyl-1-methoxycyclohexane

CAS: 5240-36-8

Formula: C9H14O

SMILES: COC1(CCCCC1)C#C

IUPAC: 1-ethynyl-1-methoxycyclohexane

InChI: InChI=1S/C9H14O/c1-3-9(10-2)7-5-4-6-8-9/h1H,4-8H2,2H3

Composition: C (78.21%), H (10.21%), O (11.58%)

Molar Mass: 138.21

Atom Count: 24

Heavy Atom Count: 10

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 138.104465071
Formal Charge 0
FSP3 0.78
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey XIAIXPAXBPDAQZ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 41.5
Topological Polar Surface Area 9.23
Polarizability 16.17
Ring Count 1
Rotatable Bond Count 1

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