acetylene;4-ethyl-1,1-dimethylcyclohexane

C12H22 — CID 142009722

IUPACacetylene;4-ethyl-1,1-dimethylcyclohexane
SMILESC#C.CCC1CCC(C)(C)CC1
InChIInChI=1S/C10H20.C2H2/c1-4-9-5-7-10(2,3)8-6-9;1-2/h9H,4-8H2,1-3H3;1-2H
InChIKeyGWYZFUQMGWNYOA-UHFFFAOYSA-N
MW166.31 g/mol
LogP3.86
Rot. Bonds1

About acetylene;4-ethyl-1,1-dimethylcyclohexane

acetylene;4-ethyl-1,1-dimethylcyclohexane (PubChem CID 142009722) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is acetylene;4-ethyl-1,1-dimethylcyclohexane.

Molecular Properties

Compound Nameacetylene;4-ethyl-1,1-dimethylcyclohexane
PubChem CID142009722
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Nameacetylene;4-ethyl-1,1-dimethylcyclohexane
SMILESC#C.CCC1CCC(C)(C)CC1
InChIInChI=1S/C10H20.C2H2/c1-4-9-5-7-10(2,3)8-6-9;1-2/h9H,4-8H2,1-3H3;1-2H
InChIKeyGWYZFUQMGWNYOA-UHFFFAOYSA-N
XLogP3.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-ethyl-1,1,8-trimethylcycloundecane
CID 123611598
1,4-diethyl-1-methylcyclohexane;ethane
CID 144637328
(4,4-dimethylcyclohexyl)methanesulfonic acid
CID 131183489
(3R)-7-ethyl-3-methylspiro[3.5]nonane
CID 163822270
ethane;ethylcyclopropane
CID 91380076
azane;ethylcyclopropane
CID 20975579
1-(aminomethyl)-4-ethyl-N,N-dimethylcyclohexan-1-amine
CID 24692899
1-(aminomethyl)-4-ethylcyclohexan-1-amine
CID 43519516
(6-ethyl-2,2-dimethylspiro[2.5]octan-1-yl)methanol
CID 130488936
1-[[(4,4-dimethylcycloheptyl)amino]methyl]-4-ethylcyclohexan-1-ol
CID 65116174
2,4-diethyl-1,1-dimethylcyclohexane
CID 143295937
ethane;7-ethyl-2-methylspiro[3.5]nonane
CID 144515680

Frequently Asked Questions

What is the IUPAC name of acetylene;4-ethyl-1,1-dimethylcyclohexane?
The IUPAC name of acetylene;4-ethyl-1,1-dimethylcyclohexane (CID 142009722) is acetylene;4-ethyl-1,1-dimethylcyclohexane.
What is the SMILES notation for acetylene;4-ethyl-1,1-dimethylcyclohexane?
The canonical SMILES for acetylene;4-ethyl-1,1-dimethylcyclohexane is C#C.CCC1CCC(C)(C)CC1.
What is the InChIKey of acetylene;4-ethyl-1,1-dimethylcyclohexane?
The InChIKey is GWYZFUQMGWNYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20.C2H2/c1-4-9-5-7-10(2,3)8-6-9;1-2/h9H,4-8H2,1-3H3;1-2H.
What are the key properties of acetylene;4-ethyl-1,1-dimethylcyclohexane?
acetylene;4-ethyl-1,1-dimethylcyclohexane has a molecular weight of 166.31 g/mol, XLogP of 3.86, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;4-ethyl-1,1-dimethylcyclohexane is sourced from PubChem (CID 142009722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).